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   Atoms and molecules.
      General problems of atomic and molecular physics.
         Methods of the quantum mechanics of atoms and molecules.
Precision mass ratio of 3He+ to HD+
S. Hamzeloui, J. A. Smith, D. J. Fink, and E. G. Myers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 27 December 2017
Precision mass ratio of He+3 to HD+
S. Hamzeloui, J. A. Smith, D. J. Fink, and E. G. Myers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 27 December 2017
Excitonlike exchange in two-photon transitions of pairs of cold Rb Rydberg atoms
Jeonghun Lee, Phatthamon Kongkhambut, and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 26 December 2017
Mode coupling and multiquantum vibrational excitations in Feshbach-resonant positron annihilation in molecules
G. F. Gribakin, J. F. Stanton, J. R. Danielson, M. R. Natisin, and C. M. Surko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 22 December 2017
Beyond-Born-Oppenheimer effects in sub-kHz-precision photoassociation spectroscopy of ytterbium atoms
Mateusz Borkowski, Alexei A. Buchachenko, Roman Ciuryło, Paul S. Julienne, Hirotaka Yamada, Yuu Kikuchi, Kakeru Takahashi, Yosuke Takasu, and Yoshiro Takahashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 06 December 2017
Beyond-Born-Oppenheimer effects in sub-kHz-precision photoassociation spectroscopy of ytterbium atoms
Mateusz Borkowski, Alexei A. Buchachenko, Roman Ciuryło, Paul S. Julienne, Hirotaka Yamada, Yuu Kikuchi, Kakeru Takahashi, Yosuke Takasu, and Yoshiro Takahashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 06 December 2017
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects
Sebastian Mai, Hugo Gattuso, Maria Fumanal, Aurora Muñoz-Losa, Antonio Monari, Chantal Daniel and Leticia González
Phys. Chem. Chem. Phys., Vol: 19, No: 40 , published: 28 October 2017
Proton relays in anomalous carbocations dictate spectroscopy, stability, and mechanisms: case studies on C2H5+ and C3H3+
LeeAnn M. Sager and Srinivasan S. Iyengar
Phys. Chem. Chem. Phys., Vol: 19, No: 40 , published: 28 October 2017
Relativistic configuration-interaction calculations of the energy levels of the 1s22l and 1s2l2l states in lithiumlike ions: Carbon through chlorine
V. A. Yerokhin, A. Surzhykov, and A. Müller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 26 October 2017
Deep learning and the Schrödinger equation
Kyle Mills, Michael Spanner, and Isaac Tamblyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 18 October 2017
Electric field controllable magnetic coupling of localized spins mediated by itinerant electrons: a toy model
Andrew Palii, Sergey Aldoshin, Boris Tsukerblat, Juan Modesto Clemente-Juan, Alejandro Gaita-Ariño and Eugenio Coronado
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M. Roch and Kim K. Baldridge
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
Multiconfiguration calculations of electronic isotope-shift factors in Zn i
Livio Filippin, Jacek Bieroń, Gediminas Gaigalas, Michel Godefroid, and Per Jönsson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 12 October 2017
Theoretical study of (e, 2e) processes for valence orbitals of CH4 using a multicenter distorted-wave method
Maomao Gong, Xingyu Li, Song Bin Zhang, Ling Liu, Yong Wu, Jianguo Wang, Yizhi Qu, and Xiangjun Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 11 October 2017
Fast and accurate prediction of proton affinities: revisiting the extended Koopmans' theorem for protonsv
Laura Pedraza-González, Jorge Charry, William Quintero, Jorge Alí-Torres and Andrés Reyes
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Solvation of Li+ by argon: how important are three-body forces?
Frederico V. Prudente, Jorge M. C. Marques and Francisco B. Pereira
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Investigating the electronic properties and structural features of MgH and of MgH anions
L. González-Sánchez, S. Gómez-Carrasco, A. M. Santadaría, F. A. Gianturco, and R. Wester
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 06 October 2017
Hyperfine splitting in simple ions for the search of the variation of fundamental constants
Natalia S. Oreshkina, Stefano M. Cavaletto, Niklas Michel, Zoltán Harman, and Christoph H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 27 September 2017
Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M–(C2NH5)n
Bo Li, Chao Xu, Xuan Xu, Chaoyuan Zhu and Feng Long Gu
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
Relativistic light-shift theory of few-electron systems: Heliumlike highly charged ions
O. Postavaru and A. C. Scafes
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 18 September 2017
Theoretical study of the substituent effect controlling the radiative and non-radiative decay processes of platinum(II) complexes
Wei Shen, Wenting Zhang and Chaoyuan Zhu
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree–Fock
John A. Gomez, Matthias Degroote, Jinmo Zhao, Yiheng Qiu and Gustavo E. Scuseria
Phys. Chem. Chem. Phys., Vol: 19, No: 33 , published: 07 September 2017
Long-range interactions of hydrogen atoms in excited states. III. nS1S interactions for n3
C. M. Adhikari, V. Debierre, and U. D. Jentschura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 05 September 2017
Analyses of sizable ZFS and magnetic tensors of high spin metallocomplexes
Takeshi Yamane, Kenji Sugisaki, Tomoki Nakagawa, Hideto Matsuoka, Takahisa Nishio, Shigemori Kinjyo, Nobuyuki Mori, Satoshi Yokoyama, Chika Kawashima, Naoki Yokokura, Kazunobu Sato, Yuki Kanzaki, Daisuke Shiomi, Kazuo Toyota, David H. Dolphin, Wei-Ching Lin, Charles A. McDowell, Makoto Tadokoro and Takeji Takui
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 18 August 2017
XUV/X-ray light and fast ions for ultrafast chemistry
P. Bolognesi, L. Bañares and M. Alcamí
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
A perspective for investigating photo-induced molecular dynamics from within with femtosecond free electron lasers
Nora Berrah
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Ab initio calculation of inelastic scattering
Andrés Moreno Carrascosa and Adam Kirrander
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering
Vinícius Vaz da Cruz, Emelie Ertan, Rafael C. Couto, Sebastian Eckert, Mattis Fondell, Marcus Dantz, Brian Kennedy, Thorsten Schmitt, Annette Pietzsch, Freddy F. Guimarães, Hans Ågren, Faris Gel'mukhanov, Michael Odelius, Alexander Föhlisch and Victor Kimberg
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Accelerating direct quantum dynamics using graphical processing units
T. J. Penfold
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
On the metastability of doubly charged homonuclear diatomics
Felipe Fantuzzi, Thiago M. Cardozo and Marco A. C. Nascimento
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 August 2017
Modeling cooperative effects in halogen-bonded infinite linear chains
Francisco Adasme-Carreño, Jans Alzate-Morales and Joel Ireta
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory
Donghai Yu, Chunying Rong, Tian Lu, Pratim K. Chattaraj, Frank De Proft and Shubin Liu
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Theoretical study of the hyperfine-interaction constants and the isotope-shift factors for the 3s21S03s3p3,1P1o transitions in Al+
Tingxian Zhang, Luyou Xie, Jiguang Li, and Zehuang Lu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 21 July 2017
Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions
Andreas Heßelmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 28 June 2017
Is there any fundamental difference between ionic, covalent, and others types of bond? A canonical perspective on the question
Jay R. Walton, Luis A. Rivera-Rivera, Robert R. Lucchese and John W. Bevan
Phys. Chem. Chem. Phys., Vol: 19, No: 24 , published: 28 June 2017
Electron-correlation effects in the g factor of light Li-like ions
V. A. Yerokhin, K. Pachucki, M. Puchalski, Z. Harman, and C. H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 27 June 2017
Relativistic corrections for non-Born-Oppenheimer molecular wave functions expanded in terms of complex explicitly correlated Gaussian functions
Sergiy Bubin, Monika Stanke, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 26 June 2017
Computing distance distributions from dipolar evolution data with overtones: RIDME spectroscopy with Gd(III)-based spin labels
Katharina Keller, Valerie Mertens, Mian Qi, Anna I. Nalepa, Adelheid Godt, Anton Savitsky, Gunnar Jeschke and Maxim Yulikov
Phys. Chem. Chem. Phys., Vol: 19, No: 27 , published: 23 June 2017
Vibrationally assisted below-threshold ionization
Spencer L. Horton, Yusong Liu, Pratip Chakraborty, Spiridoula Matsika, and Thomas Weinacht
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 15 June 2017
Orientation dependence of harmonic emission from vibrating HeH2+ versus HeT2+: Effects of a permanent dipole
Y. P. Li, S. J. Yu, W. Y. Li, and Y. J. Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 14 June 2017
Producing spin-polarized photoelectrons by using the momentum gate in strong-field ionization experiments
Kunlong Liu, Klaus Renziehausen, and Ingo Barth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 13 June 2017
Spin-dependent quantum theory of high-order above-threshold ionization
D. Zille, D. Seipt, M. Möller, S. Fritzsche, G. G. Paulus, and D. B. Milošević
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 12 June 2017
Above-threshold ionization of helium in the long-wavelength regime: Examining the single-active-electron approximation and the two-electron strong-field approximation
Chuan Yu and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 08 June 2017
Reliability of interacting quantum atoms (IQA) data computed from post-HF densities: impact of the approximation used
Ignacy Cukrowski and Pavel M. Polestshuk
Phys. Chem. Chem. Phys., Vol: 19, No: 25 , published: 30 May 2017
Heavy ligand atom induced large magnetic anisotropy in Mn(II) complexes
Sabyasachi Roy Chowdhury and Sabyashachi Mishra
Phys. Chem. Chem. Phys., Vol: 19, No: 25 , published: 30 May 2017
Relativistic corrections for the ground electronic state of molecular hydrogen
Mariusz Puchalski, Jacek Komasa, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 25 May 2017
Relativistic corrections for the ground electronic state of molecular hydrogen
Mariusz Puchalski, Jacek Komasa, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 25 May 2017
Complex magnetic orders in small cobalt–benzene molecules
J. W. González, T. Alonso-Lanza, F. Delgado, F. Aguilera-Granja and A. Ayuela
Phys. Chem. Chem. Phys., Vol: 19, No: 22 , published: 18 May 2017
Tetrel, pnictogen and chalcogen bonds identified in the gas phase before they had names: a systematic look at non-covalent interactions
Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Rovibrational quantum dynamical computations for deuterated isotopologues of the methane–water dimer
János Sarka, Attila G. Császár and Edit Mátyus
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Sigma-hole carbon-bonding interactions in carbon–carbon double bonds: an unnoticed contact
D. Quiñonero
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Electronic structure and time-dependent description of rotational predissociation of LiH
P. Jasik, J. E. Sienkiewicz, J. Domsta and N. E. Henriksen
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 17 May 2017
Interaction of molecular nitrogen with free-electron-laser radiation
H. I. B. Banks, D. A. Little, J. Tennyson and A. Emmanouilidou
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 17 May 2017
Revisiting the (E + A) ⊗ (e + a) problems of polyatomic systems with trigonal symmetry: general expansions of their vibronic Hamiltonians
Tao Zeng and Issaka Seidu
Phys. Chem. Chem. Phys., Vol: 19, No: 18 , published: 14 May 2017
The shielding cone in spherical aromatic structures: insights from models for spherical 2(N + 1)2 aromatic fullerenes
Alvaro Muñoz-Castro
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Towards a formal definition of static and dynamic electronic correlations
Carlos L. Benavides-Riveros, Nektarios N. Lathiotakis and Miguel A. L. Marques
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Probing the dynamics of N-methylacetamide in methanol via ab initio molecular dynamics
Vivek K. Yadav and Michael L. Klein
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?
Pragya Verma and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Assessment of electronic structure methods for the determination of the ground spin states of Fe(II), Fe(III) and Fe(IV) complexes
Pragya Verma, Zoltan Varga, Johannes E. M. N. Klein, Christopher J. Cramer, Lawrence Que and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
The rotational dynamics of H2 adsorbed in covalent organic frameworks
Tony Pham, Katherine A. Forrest, Matthew Mostrom, Joseph R. Hunt, Hiroyasu Furukawa, Juergen Eckert and Brian Space
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Cross-damping effects in 1S3S spectroscopy of hydrogen and deuterium
Hélène Fleurbaey, François Biraben, Lucile Julien, Jean-Philippe Karr, and François Nez
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 11 May 2017
Prediction of low-field nuclear singlet lifetimes with molecular dynamics and quantum-chemical property surface
Pär Håkansson
Phys. Chem. Chem. Phys., Vol: 19, No: 16 , published: 28 April 2017
High-resolution spectroscopy of Rydberg molecular states of Rb285 near the 5s+7p asymptote
R. A. Carollo, J. L. Carini, E. E. Eyler, P. L. Gould, and W. C. Stwalley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 26 April 2017
Theoretical analysis of effective electric fields in mercury monohalides
V. S. Prasannaa, M. Abe, V. M. Bannur, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 21 April 2017
Low-energy E0 transition between the components of the ground-state doublet in the muonic atom Th229
E. V. Tkalya
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 20 April 2017
Low-energy E0 transition between the components of the ground-state doublet in the muonic atom Th229
E. V. Tkalya
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 20 April 2017
Universal scaling relations for the energies of many-electron Hooke atoms
A. Odriazola, J. Solanpää, I. Kylänpää, A. González, and E. Räsänen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 19 April 2017
Relativistic many-body calculation of energies, multipole transition rates, and lifetimes in tungsten ions
U. I. Safronova, M. S. Safronova, and N. Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 18 April 2017
Interplay between relativistic energy corrections and resonant excitations in x-ray multiphoton ionization dynamics of Xe atoms
Koudai Toyota (豊田広大), Sang-Kil Son (손상길), and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 14 April 2017
Persistent discrepancy between experimental and theoretical lifetimes for Ni
R. Si, C. Y. Zhang, K. Yao, T. Brage, C. Y. Chen, and Y. M. Zou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 11 April 2017
Infrared-pump–x-ray-probe spectroscopy of vibrationally excited molecules
Nina Ignatova, Vinícius V. da Cruz, Rafael C. Couto, Emilie Ertan, Michael Odelius, Hans Ågren, Freddy F. Guimarães, Andrei Zimin, Sergey P. Polyutov, Faris Gel'mukhanov, and Victor Kimberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 07 April 2017
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti and Giacomo Prampolini
Phys. Chem. Chem. Phys., Vol: 19, No: 13 , published: 07 April 2017
In search of the best DFT functional for dealing with organic anionic species
José L. Borioni, Marcelo Puiatti, D. Mariano A. Vera and Adriana B. Pierini
Phys. Chem. Chem. Phys., Vol: 19, No: 13 , published: 07 April 2017
Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization
Matti Hanni, Perttu Lantto, Michal Repiský, Jiří Mareš, Brian Saam, and Juha Vaara
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 31 March 2017
Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective
Elham Khosravi, Ali Abedi, Angel Rubio and Neepa T. Maitra
Phys. Chem. Chem. Phys., Vol: 19, No: 12 , published: 28 March 2017
Photoionization of atomic barium subshells in the 4d threshold region using the relativistic multiconfiguration Tamm-Dancoff approximation
Aarthi Ganesan, P. C. Deshmukh, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 17 March 2017
Recollision as a probe of magnetic-field effects in nonsequential double ionization
A. Emmanouilidou and T. Meltzer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 07 March 2017
Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: a two-state story?
Aurelie Perveaux, Maxime Lorphelin, Benjamin Lasorne and David Lauvergnat
Phys. Chem. Chem. Phys., Vol: 19, No: 9 , published: 07 March 2017
Electron-nuclear correlation in above-threshold double ionization of molecules
Peifen Lu, Wenbin Zhang, Xiaochun Gong, Qiying Song, Kang Lin, Qinying Ji, Junyang Ma, Feng He, Heping Zeng, and Jian Wu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 06 March 2017
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory
Junwei Lucas Bao, Xin Zhang, Xuefei Xu and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 19, No: 8 , published: 28 February 2017
Electrical anharmonicity in hydrogen bonded systems: complete interpretation of the IR spectra of the Cl–[H with combining right harpoon above (vector)]stretching band in the gaseous (CH3)2O⋯HCl complex
Najeh Rekik, Jamal Suleiman, Paul Blaise, Marek J. Wojcik, Henryk T. Flakus and Takahito Nakajima
Phys. Chem. Chem. Phys., Vol: 19, No: 8 , published: 28 February 2017
Verifying thermodynamic equilibrium of molecular manifolds: Kennard-Stepanov spectroscopy of a molecular gas
Stavros Christopoulos, Dominik Möller, Roberto Cota, Benedikt Gerwers, and Martin Weitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 27 February 2017
Prediction of metastable AlS2+ dications in the gas phase
Karim Elhadj Merabti, Bilel Mehnen, Sihem Azizi, Saida Ben Yaghlane, Nejm Eddine Jaidane, Muneerah Mogren Al Mogren, and Majdi Hochlaf
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 21 February 2017
Scalar-pseudoscalar interaction in the francium atom
L. V. Skripnikov, D. E. Maison, and N. S. Mosyagin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 16 February 2017
General theory for Rydberg states of atoms: The nonrelativistic case
Xiao-Feng Wang and Zong-Chao Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 13 February 2017
TaO+ as a candidate molecular ion for searches of physics beyond the standard model
Timo Fleig
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 09 February 2017
Effects of exchange-correlation potentials on the density-functional description of C60 versus C240 photoionization
Jinwoo Choi, EonHo Chang, Dylan M. Anstine, Mohamed El-Amine Madjet, and Himadri S. Chakraborty
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 07 February 2017
Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin–orbit splittings of light and heavy elements
Zhanli Cao, Zhendong Li, Fan Wang and Wenjian Liu
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene
Igor Lyskov, Horst Köppel and Christel M. Marian
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Molecular electronic structure in one-dimensional Coulomb systems
Caleb J. Ball, Pierre-François Loos and Peter M. W. Gill
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Two-electron atom with a screened interaction
C. A. Downing
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 06 February 2017
Prediction of quantum many-body chaos in the protactinium atom
A. V. Viatkina, M. G. Kozlov, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 06 February 2017
Creation of two-photon states via interactions between Rydberg atoms during light storage
J. Ruseckas, I. A. Yu, and G. Juzeliūnas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 03 February 2017
Potential energy surfaces in atomic structure: The role of Coulomb correlation in the ground state of helium
L. D. Salas and J. C. Arce
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 03 February 2017
Vibronic transitions in the alkali-metal (Li, Na, K, Rb) – alkaline-earth-metal (Ca, Sr) series: A systematic analysis of de-excitation mechanisms based on the graphical mapping of Frank-Condon integrals
Johann V. Pototschnig, Ralf Meyer, Andreas W. Hauser, and Wolfgang E. Ernst
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 02 February 2017
Long-range interactions of hydrogen atoms in excited states. II. Hyperfine-resolved 2S2S systems
U. D. Jentschura, V. Debierre, C. M. Adhikari, A. Matveev, and N. Kolachevsky
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 02 February 2017
Torsional and rotational couplings in nonrigid molecules
Juan J. Omiste and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 01 February 2017
Quantum ergodicity breaking in semi-classical electron transfer dynamics
Igor Goychuk
Phys. Chem. Chem. Phys., Vol: 19, No: 4 , published: 28 January 2017
A full dimensional potential for H2O2 (X1A) covering all dissociation channels
Daniela V. Coelho and João Brandão
Phys. Chem. Chem. Phys., Vol: 19, No: 2 , published: 14 January 2017
Two-dimensional optical spectroscopy of homo- and heterodimers
Johannes Wehner and Volker Engel
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
An ab initio study of the ground and excited electronic states of the methyl radical
A. Zanchet, L. Bañares, M. L. Senent and A. García-Vela
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Pushing the limit for the grid-based treatment of Schrödinger's equation: a sparse Numerov approach for one, two and three dimensional quantum problems
Ulrich Kuenzer, Jan-Andrè Sorarù and Thomas S. Hofer
Phys. Chem. Chem. Phys., Vol: 18, No: 46 , published: 14 December 2016
Nature of the chemical bond from the point of view of the degree of overlapping of electron shells for ions, atoms, and molecules
Zhyganiuk I.V.
Доп. Нац. АН Украïни, Vol: 2016, No: 12 , published: 01 December 2016
Tuning the vibrational coupling of H3O+ by changing its solvation environment
Jake A. Tan, Jheng-Wei Li, Cheng-chau Chiu, Hsin-Yi Liao, Hai Thi Huynh and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 18, No: 44 , published: 28 November 2016
Exchange potentials for semi-classical electrons
Judith Herzfeld and Solen Ekesan
Phys. Chem. Chem. Phys., Vol: 18, No: 44 , published: 28 November 2016
Higher-order recoil corrections for triplet states of the helium atom
Vojtěch Patkóš, Vladimir A. Yerokhin, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 22 November 2016
Ionization propensity and electron momentum distribution of the toluene S1 excited state studied by time-resolved binary (e,2e) spectroscopy
Masakazu Yamazaki, Yaguo Tang, and Masahiko Takahashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 22 November 2016
Intramolecular torque, an indicator of the internal rotation direction of rotor molecules and similar systems
Rui-Qin Zhang, Yan-Ling Zhao, Fei Qi, Klaus Hermann and Michel A. Van Hove
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 November 2016
Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations
Alexander Karabanov, Grzegorz Kwiatkowski, Carlo U. Perotto, Daniel Wiśniewski, Jonathan McMaster, Igor Lesanovsky and Walter Köckenberger
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 November 2016
Relativistic coupled-cluster calculations of transition properties in highly charged inert-gas ions
D. K. Nandy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 18 November 2016
Calculation of Stark resonance parameters for valence orbitals of the water molecule
Susana Arias Laso and Marko Horbatsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 14 November 2016
Transition path time distribution and the transition path free energy barrier
Eli Pollak
Phys. Chem. Chem. Phys., Vol: 18, No: 41 , published: 07 November 2016
Взаимодействие ридберговских атомов в циркулярных состояниях с атомами щелочноземельных элементов Ca(4s2) и Sr(5s2)
Мирончук Е.С., Нариц А.А., Лебедев В.С.
Ж. эксперим. и теор. физ., Vol: 148, No: 5 , published: 01 November 2016
All-order calculations of the spectra of superheavy elements 113 and 114
T. H. Dinh and V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 01 November 2016
Application of classical simulations for the computation of vibrational properties of free molecules
Denis S. Tikhonov, Dmitry I. Sharapa, Jan Schwabedissen and Vladimir V. Rybkin
Phys. Chem. Chem. Phys., Vol: 18, No: 40 , published: 28 October 2016
Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach
Laura Pedraza-González, Jonathan Romero, Jorge Alí-Torres and Andrés Reyes
Phys. Chem. Chem. Phys., Vol: 18, No: 39 , published: 21 October 2016
Master equation for high-precision spectroscopy
Andreas Alexander Buchheit and Giovanna Morigi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 17 October 2016
Calculation of differential cross section for dielectronic recombination with two-electron uranium
K. N. Lyashchenko and O. Yu. Andreev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 17 October 2016
Quantum effects of nuclear motion in three-particle diatomic ions
Adam L. Baskerville, Andrew W. King, and Hazel Cox
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 14 October 2016
Pseudocontact shifts from mobile spin labels
Elizaveta A. Suturina and Ilya Kuprov
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Density functional theory and an experimentally-designed energy functional of electron density
David A. Miranda and Paulo R. Bueno
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 October 2016
Resonant spectra of quadrupolar anions
K. Fossez, Xingze Mao (毛兴泽), W. Nazarewicz, N. Michel, W. R. Garrett, and M. Płoszajczak
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 22 September 2016
Effective three-particle forces in polyvalent atoms
M. G. Kozlov, M. S. Safronova, S. G. Porsev, and I. I. Tupitsyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 22 September 2016
A self-consistent GW approach to the van der Waals potential for a helium dimer
Toru Shoji, Riichi Kuwahara, Shota Ono and Kaoru Ohno
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Magic wavelength for the hydrogen 1S2S transition: Contribution of the continuum and the reduced-mass correction
C. M. Adhikari, A. Kawasaki, and U. D. Jentschura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 20 September 2016
Algebraic theory of endohedrally confined diatomic molecules: Application to H2@C60
Lorenzo Fortunato and Francisco Pérez-Bernal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 14 September 2016
Relativistic many-body calculation of energies, lifetimes, polarizabilities, blackbody radiative shift, and hyperfine constants in Lu2+
U. I. Safronova, M. S. Safronova, and W. R. Johnson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 08 September 2016
Chiral rotational spectroscopy
Robert P. Cameron, Jörg B. Götte, and Stephen M. Barnett
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 08 September 2016
Simple model for analyzing Efimov energy and three-body recombination of three identical bosons with van der Waals interactions
Jing-Lun Li, Xue-Jin Hu, Yong-Chang Han, and Shu-Lin Cong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 08 September 2016
Theoretical investigation of the broad one-photon absorption line-shape of a flexible symmetric carbazole derivative
Yanli Liu, Javier Cerezo, Fabrizio Santoro, Antonio Rizzo, Na Lin and Xian Zhao
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Rovibrational transitions of the methane–water dimer from intermolecular quantum dynamical computations
János Sarka, Attila G. Császár, Stuart C. Althorpe, David J. Wales and Edit Mátyus
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Measurement of the scalar polarizability of the indium 6p1/2 state using two-step atomic-beam spectroscopy
Benjamin L. Augenbraun, Allison Carter, P. M. Rupasinghe, and P. K. Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 31 August 2016
Rydberg and continuum states of the HeH+ molecular ion: Variational R-matrix and multichannel quantum defect theory calculations
I. Bouhali, S. Bezzaouia, M. Telmini, and Ch. Jungen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 31 August 2016
Revisiting an old concept: the coupled oscillator model for VCD. Part 1: the generalised coupled oscillator mechanism and its intrinsic connection to the strength of VCD signals
Valentin Paul Nicu
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Origin of the step structure of molecular exchange–correlation potentials
Sviataslau V. Kohut, Alexander M. Polgar and Viktor N. Staroverov
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Time-dependent Dyson orbital theory
O. V. Gritsenko and E. J. Baerends
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Analytical gradients for excitation energies from frozen-density embedding
Arseny Kovyrshin and Johannes Neugebauer
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Time-dependent density functional theory beyond Kohn–Sham Slater determinants
Johanna I. Fuks, Søren E. B. Nielsen, Michael Ruggenthaler and Neepa T. Maitra
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
4-Component relativistic calculations of L3 ionization and excitations for the isoelectronic species UO22+, OUN+ and UN2
Christopher South, Avijit Shee, Debashis Mukherjee, Angela K. Wilson and Trond Saue
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Kohn–Sham calculations of NMR shifts for paramagnetic 3d metal complexes: protocols, delocalization error, and the curious amide proton shifts of a high-spin iron(II) macrocycle complex
Bob Martin and Jochen Autschbach
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved
Stig Rune Jensen, Tor Flå, Dan Jonsson, Rune Sørland Monstad, Kenneth Ruud and Luca Frediani
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
The fragment molecular orbital method combined with density-functional tight-binding and the polarizable continuum model
Yoshio Nishimoto and Dmitri G. Fedorov
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Complete analytic anharmonic hyper-Raman scattering spectra
Yann Cornaton, Magnus Ringholm and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
On the physical origins of interaction-induced vibrational (hyper)polarizabilities
Robert Zaleśny, Marc Garcia-Borràs, Robert W. Góra, Miroslav Medved' and Josep M. Luis
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Benchmarking a modified version of the civ3 nonrelativistic atomic-structure code within Na-like-tungsten R-matrix calculations
M. D. Turkington, C. P. Ballance, A. Hibbert, and C. A. Ramsbottom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 17 August 2016
Two-particle atomic coalescences: Boundary conditions for the Fock coefficient components
Evgeny Z. Liverts
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 15 August 2016
Excited states in large molecular systems through polarizable embedding
Nanna Holmgaard List, Jógvan Magnus Haugaard Olsen and Jacob Kongsted
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Analytic calculation of the edge components of the angular Fock coefficients
Evgeny Z. Liverts
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 09 August 2016
Confinement-induced resonances in ultracold atom-ion systems
V. S. Melezhik and A. Negretti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 08 August 2016
Hydrogen bond cooperativity and anticooperativity within the water hexamer
José Manuel Guevara-Vela, Eduardo Romero-Montalvo, Víctor Arturo Mora Gómez, Rodrigo Chávez-Calvillo, Marco García-Revilla, Evelio Francisco, Ángel Martín Pendás and Tomás Rocha-Rinza
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 August 2016
Non-linear photoelectron effect contributes to the formation of negative matrix ions in UV-MALDI
E. Alonso and R. Zenobi
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 August 2016
Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24
Suehiro Iwata, Dai Akase, Misako Aida and Sotiris S. Xantheas
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 August 2016
Weighted difference of g factors of light Li-like and H-like ions for an improved determination of the fine-structure constant
V. A. Yerokhin, E. Berseneva, Z. Harman, I. I. Tupitsyn, and C. H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 03 August 2016
Релятивистский эффект Яна-Теллера Gg[3/2]×(t2g + eg) в кубических и октаэдрических молекулах
Полуянов Л.В., Волохов В.М.
Изв. РАН. Сер. хим., Vol: 2016, No: 8 , published: 01 August 2016
Stretching and bending dynamics in triatomic ultralong-range Rydberg molecules
Christian Fey, Markus Kurz, and Peter Schmelcher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 28 July 2016
Hückel–Hubbard–Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene
Máté Timár, Gergely Barcza, Florian Gebhard, Libor Veis and Örs Legeza
Phys. Chem. Chem. Phys., Vol: 18, No: 28 , published: 28 July 2016
Characteristic infrared intensities of carbonyl stretching vibrations
Wagner E. Richter, Arnaldo F. Silva, Luciano N. Vidal and Roy E. Bruns
Phys. Chem. Chem. Phys., Vol: 18, No: 26 , published: 14 July 2016
Spectrum, radial wave functions, and hyperfine splittings of the Rydberg states in heavy alkali-metal atoms
Ali Sanayei and Nils Schopohl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 12 July 2016
Magic wavelengths, matrix elements, polarizabilities, and lifetimes of Cs
M. S. Safronova, U. I. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 06 July 2016
Theoretical investigation of alignment-dependent intense-field fragmentation of acetylene
Katharina Doblhoff-Dier, Markus Kitzler, and Stefanie Gräfe
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 06 July 2016
An investigation on the structure, spectroscopy and thermodynamic aspects of Br2(−)(H2O)n clusters using a conjunction of stochastic and quantum chemical methods
Pulak Naskar and Pinaki Chaudhury
Phys. Chem. Chem. Phys., Vol: 18, No: 24 , published: 28 June 2016
Magnetic-sublevel-independent magic wavelengths: Application to Rb and Cs atoms
Sukhjit Singh, B. K. Sahoo, and Bindiya Arora
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 24 June 2016
Quantum and classical dynamics of H + CaCl(X 2Σ+) → HCl + Ca(1S) reaction and vibrational energy levels of the HCaCl complex
Rui Shan Tan, Huan Chen Zhai, Feng Gao, Dianmin Tong and Shi Ying Lin
Phys. Chem. Chem. Phys., Vol: 18, No: 23 , published: 21 June 2016
Inner-shell photoexcitations as probes of the molecular ions CH+, OH+, and SiH+: Measurements and theory
J.-P. Mosnier, E. T. Kennedy, P. van Kampen, D. Cubaynes, S. Guilbaud, N. Sisourat, A. Puglisi, S. Carniato, and J.-M. Bizau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 14 June 2016
Nuclear size effects in vibrational spectra
Adel Almoukhalalati, Avijit Shee and Trond Saue
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
Collisional shift and broadening of the transition lines in pionic helium
Boyan Obreshkov and Dimitar Bakalov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 08 June 2016
Autoionization in time-dependent density-functional theory
V. Kapoor
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 08 June 2016
Inner-shell electron effects in strong-field double ionization of Xe
Zongqiang Yuan, Difa Ye, Jie Liu, and Libin Fu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 08 June 2016
МЕТОД РАСЧЕТА ЭЛЕКТРОННЫХ СОСТОЯНИЙ БОЛЬШИХ МОЛЕКУЛ С ИСПОЛЬЗОВАНИЕМ ОДНОЦЕНТРОВЫХ ФУНКЦИЙ ФРАГМЕНТОВ
Грибов Л.А.
Докл. РАН, Vol: 471, No: 6 , published: 06 June 2016
Static electric multipole susceptibilities of the relativistic hydrogenlike atom in the ground state: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
Radosław Szmytkowski and Grzegorz Łukasik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 02 June 2016
A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion
Janusz Cukras, Joanna Kauczor, Patrick Norman, Antonio Rizzo, Geert L. J. A. Rikken and Sonia Coriani
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Electronic binding energy and thermal relaxation of Li and LiNa atomic alloying clusters
Maolin Bo, Yongling Guo, Yan Wang, Yonghui Liu, Cheng Peng, Chang Q. Sun and Yongli Huang
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Pair-eigenstates and mutual alignment of coupled molecular rotors in a magnetic field
Ketan Sharma and Bretislav Friedrich
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Origin-independent two-photon circular dichroism calculations in coupled cluster theory
Daniel H. Friese, Christof Hättig and Antonio Rizzo
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
How amino and nitro substituents direct electrophilic aromatic substitution in benzene: an explanation with Kohn–Sham molecular orbital theory and Voronoi deformation density analysis
O. A. Stasyuk, H. Szatylowicz, T. M. Krygowski and C. Fonseca Guerra
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Unification of ground-state aromaticity criteria – structure, electron delocalization, and energy – in light of the quantum chemical topology
Zahra Badri and Cina Foroutan-Nejad
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Can the current density map topology be extracted from the nucleus independent chemical shifts?
Sofie Van Damme, Guillaume Acke, Remco W. A. Havenith and Patrick Bultinck
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Topological definition of ring currents
Paolo Lazzeretti
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Decay rate of real space delocalization measures: a comparison between analytical and test systems
A. Gallo-Bueno, E. Francisco and A. Martín Pendás
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
The making of ring currents
Guglielmo Monaco and Riccardo Zanasi
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Electron conjugation versus π–π repulsion in substituted benzenes: why the carbon–nitrogen bond in nitrobenzene is longer than in aniline
Huaiyu Zhang, Xiaoyu Jiang, Wei Wu and Yirong Mo
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Understanding conductivity in molecular switches: a real space approach in octaphyrins
T. Woller, N. Ramos-Berdullas, M. Mandado, M. Alonso, F. de Proft and J. Contreras-García
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Development of semiclassical molecular dynamics simulation method
Hiroki Nakamura, Shinkoh Nanbu, Yoshiaki Teranishi and Ayumi Ohta
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Orbital Feshbach resonances with a small energy gap between open and closed channels
Yanting Cheng, Ren Zhang, and Peng Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 22 April 2016
Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach
Sebastian Fernandez-Alberti, Dmitry V. Makhov, Sergei Tretiak and Dmitrii V. Shalashilin
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
Origin of distinct structural symmetry of the neopentane cation in the ground electronic state compared to the methane cation
T. Mondal
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
Atomic properties of Lu+
Eduardo Paez, K. J. Arnold, Elnur Hajiyev, S. G. Porsev, V. A. Dzuba, U. I. Safronova, M. S. Safronova, and M. D. Barrett
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 18 April 2016
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study
Gianluca Del Frate, Fabio Bellina, Giordano Mancini, Giulia Marianetti, Pierpaolo Minei, Andrea Pucci and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 April 2016
Permanent electric dipole moments of alkaline-earth-metal monofluorides: Interplay of relativistic and correlation effects
V. S. Prasannaa, S. Sreerekha, M. Abe, V. M. Bannur, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 13 April 2016
Nagaoka’s atomic model and hyperfine interactions
Takashi T. INAMURA
Proc. Jap. Acad. B, Vol: 92, No: 4 , published: 11 April 2016
Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives
Tiago Vinicius Alves, Luis Simón-Carballido, Fernando Rei Ornellas and Antonio Fernández-Ramos
Phys. Chem. Chem. Phys., Vol: 18, No: 13 , published: 07 April 2016
Feshbach resonances and weakly bound molecular states of boson-boson and boson-fermion NaK pairs
Alexandra Viel and Andrea Simoni
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 05 April 2016
Ionization potentials and polarizabilities of superheavy elements from Db to Cn (Z=105112)
V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 28 March 2016
Theoretical determination of the polarizability dispersion and the refractive index of helium
Mariusz Puchalski, Konrad Piszczatowski, Jacek Komasa, Bogumił Jeziorski, and Krzysztof Szalewicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 23 March 2016
Direct optical access to the triplet manifold of states in H2
Ch. Jungen and M. Glass-Maujean
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 22 March 2016
Coupled electron-nuclear dynamics in resonant 1σ2π x-ray Raman scattering of CO molecules
Rafael C. Couto, Marco Guarise, Alessandro Nicolaou, Nicolas Jaouen, Gheorghe S. Chiuzbăian, Jan Lüning, Victor Ekholm, Jan-Erik Rubensson, Conny Såthe, Franz Hennies, Freddy F. Guimarães, Hans Ågren, Faris Gel'mukhanov, Loïc Journel, Marc Simon, and Victor Kimberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 17 March 2016
Analysis of the competition between forbidden and hyperfine-induced transitions in Ne-like ions
Martin Andersson, Jon Grumer, Tomas Brage, Yaming Zou, and Roger Hutton
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 14 March 2016
Relativistic evaluation of the two-photon decay of the metastable 1s22s2p3P0 state in berylliumlike ions with an effective-potential model
Pedro Amaro, Filippo Fratini, Laleh Safari, Jorge Machado, Mauro Guerra, Paul Indelicato, and José Paulo Santos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 07 March 2016
Magnetic susceptibility of actinide(III) cations: an experimental and theoretical study
Matthieu Autillo, Laetitia Guerin, Hélène Bolvin, Philippe Moisy and Claude Berthon
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 March 2016
Гамильтониан для электронно-колебательно-вращательной задачи в теории молекул
Грибов Л.А.
Докл. РАН, Vol: 467, No: 1 , published: 01 March 2016
Определение параметров основного колебательного состояния молекулы С2D4
Фомченко А.Л., Чжан Ф., Громова О.В., Буттерсак Т.
Изв. вузов. Физ., Vol: 59, No: 3 , published: 01 March 2016
Photoassociation of spin-polarized chromium
Jahn Rührig, Tobias Bäuerle, Paul S. Julienne, Eite Tiesinga, and Tilman Pfau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 29 February 2016
A critical assessment of methods to recover information from averaged data
Enrico Ravera, Luca Sgheri, Giacomo Parigi and Claudio Luchinat
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Nonexponential tunneling decay of a single ultracold atom
Gastón García-Calderón and Roberto Romo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 25 February 2016
Configuration-interaction plus many-body-perturbation-theory calculations of Si i transition probabilities, oscillator strengths, and lifetimes
I. M. Savukov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 25 February 2016
Inner and outer radial density functions in correlated two-electron systems
Andrew W. King, Luke C. Rhodes, and Hazel Cox
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 19 February 2016
Deconstructing field-induced ketene isomerization through Lagrangian descriptors
Galen T. Craven and Rigoberto Hernandez
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Three-photon circular dichroism: towards a generalization of chiroptical non-linear light absorption
Daniel H. Friese and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Analytic calculations of anharmonic infrared and Raman vibrational spectra
Yann Cornaton, Magnus Ringholm, Orian Louant and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Lifetimes of some 2s22p 2P3/2 states from variational theory
Charlotte Froese Fischer, Ian P. Grant, Gediminas Gaigalas, and Pavel Rynkun
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 05 February 2016
Magnetic-field-induced electric quadrupole moments for relativistic hydrogenlike atoms: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
Patrycja Stefańska
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 04 February 2016
Conforming the measured lifetimes of the 5d2D3/2,5/2 states in Cs with theory
B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 02 February 2016
Velocity-dependent dipole forces on an excited atom
M. Donaire and A. Lambrecht
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 01 February 2016
An experimental and theoretical study of core–valence double ionisation of acetaldehyde (ethanal)
S. Zagorodskikh, M. Vapa, O. Vahtras, V. Zhaunerchyk, M. Mucke, J. H. D. Eland, R. J. Squibb, P. Linusson, K. Jänkälä, H. Ågren and R. Feifel
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Global optimization of clusters of rigid molecules using the artificial bee colony algorithm
Jun Zhang and Michael Dolg
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
The van der Waals interactions in rare-gas dimers: the role of interparticle interactions
Yu-Ting Chen, Kerwin Hui and Jeng-Da Chai
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Spin-statistic selection rules for multiphoton transitions: Application to helium atoms
T. Zalialiutdinov, D. Solovyev, L. Labzowsky, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 14 January 2016
Exploring the role of the 3-center–4-electron bond in hypervalent λ3-iodanes using the methodology of domain averaged Fermi holes
Halua Pinto de Magalhães, Hans Peter Lüthi and Patrick Bultinck
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 January 2016
Promoting and inhibiting tunneling via nuclear motions
Attila G. Császár and Tibor Furtenbacher
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 January 2016
Adiabatic electronic flux density: A Born-Oppenheimer broken-symmetry ansatz
Vincent Pohl and Jean Christophe Tremblay
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 12 January 2016
Proton transfer in acetylacetone and its α-halo derivatives
Fatemeh Dolati, Sayyed Faramarz Tayyari, Mohammad Vakili and Yan Alexander Wang
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
The role of interparticle interaction and environmental coupling in a two-particle open quantum system
Humberto G. Laguna, Robin P. Sagar, David G. Tempel and Alán Aspuru-Guzik
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Identification of overlapping resonances in dissociative electron attachment to chlorine molecules
Pamir Nag and Dhananjay Nandi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 05 January 2016
Development of the configuration-interaction + all-order method and application to the parity-nonconserving amplitude and other properties of Pb
S. G. Porsev, M. G. Kozlov, M. S. Safronova, and I. I. Tupitsyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 04 January 2016
State flip at exceptional points in atomic spectra
Henri Menke, Marcel Klett, Holger Cartarius, Jörg Main, and Günter Wunner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 04 January 2016
Optimizing a parametrized Thomas–Fermi–Dirac–Weizsäcker density functional for atoms
L. A. Espinosa Leal, A. Karpenko, M. A. Caro and O. Lopez-Acevedo
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
A weight averaged approach for predicting amide vibrational bands of a sphingomyelin bilayer
Kiyoshi Yagi, Pai-Chi Li, Koichiro Shirota, Toshihide Kobayashi and Yuji Sugita
Phys. Chem. Chem. Phys., Vol: 17, No: 43 , published: 21 December 2015
Real-space numerical grid methods in quantum chemistry
Luca Frediani and Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Accurate and efficient linear scaling DFT calculations with universal applicability
Stephan Mohr, Laura E. Ratcliff, Luigi Genovese, Damien Caliste, Paul Boulanger, Stefan Goedecker and Thierry Deutsch
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu J. Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques and Angel Rubio
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree–Fock and density functional theory via linear response
Takeshi Yanai, George I. Fann, Gregory Beylkin and Robert J. Harrison
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Configuration interaction singles based on the real-space numerical grid method: Kohn–Sham versus Hartree–Fock orbitals
Jaewook Kim, Kwangwoo Hong, Sunghwan Choi, Sang-Yeon Hwang and Woo Youn Kim
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
An adaptive finite-element method for large-scale ab initio molecular dynamics simulations
Eiji Tsuchida, Yoong-Kee Choe and Takahiro Ohkubo
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation
Jakob S. Kottmann, Sebastian Höfener and Florian A. Bischoff
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
A real-space stochastic density matrix approach for density functional electronic structure
Thomas L. Beck
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
The grid-based fast multipole method – a massively parallel numerical scheme for calculating two-electron interaction energies
Elias A. Toivanen, Sergio A. Losilla and Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Tensor numerical methods in quantum chemistry: from Hartree–Fock to excitation energies
Venera Khoromskaia and Boris N. Khoromskij
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Fock-exchange for periodic structures in the real-space formalism and the KLI approximation
Amir Natan
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic system
Debdutta Chakraborty, Susmita Kar and Pratim Kumar Chattaraj
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Singular analysis and coupled cluster theory
Heinz-Jürgen Flad, Gohar Harutyunyan and Bert-Wolfgang Schulze
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
High order forces and nonlocal operators in a Kohn–Sham Hamiltonian
N. Scott Bobbitt, Grady Schofield, Charles Lena and James R. Chelikowsky
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements
Monica Bugeanu, Roberto Di Remigio, Krzysztof Mozgawa, Simen Sommerfelt Reine, Helmut Harbrecht and Luca Frediani
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations
Luigi Genovese and Thierry Deutsch
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Quantum coherence effects in natural light-induced processes: cistrans photoisomerization of model retinal under incoherent excitation
Timur V. Tscherbul and Paul Brumer
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Electronic coherence and the kinetics of inter-complex energy transfer in light-harvesting systems
Pengfei Huo and Thomas F. Miller III
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Spectral lineshapes in nonlinear electronic spectroscopy
Artur Nenov, Angelo Giussani, Benjamin P. Fingerhut, Ivan Rivalta, Elise Dumont, Shaul Mukamel and Marco Garavelli
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Vibronic couplings and coherent electron transfer in bridged systems
Raffaele Borrelli, Amedeo Capobianco, Alessandro Landi and Andrea Peluso
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Analytic solution and pulse area theorem for three-level atoms
Gavriil Shchedrin, Chris O'Brien, Yuri Rostovtsev, and Marlan O. Scully
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 09 December 2015
Dynamic atomic contributions to infrared intensities of fundamental bands
Arnaldo F. Silva, Wagner E. Richter, Adalberto B. M. S. Bassi and Roy E. Bruns
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Atomistic bond relaxation, energy entrapment, and electron polarization of the RbN and CsN clusters (N ≤ 58)
Yongling Guo, Maolin Bo, Yan Wang, Yonghui Liu, Yongli Huang and Chang Q. Sun
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Multi-center covalency: revisiting the nature of anion–π interactions
Cina Foroutan-Nejad, Zahra Badri and Radek Marek
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes
Timm Bredtmann, Dennis J. Diestler, Si-Dian Li, Jörn Manz, Jhon Fredy Pérez-Torres, Wen-Juan Tian, Yan-Bo Wu, Yonggang Yang and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
Identifying and avoiding singularity-induced local traps over control landscapes of spin chain systems
Qiuyang Sun, István Pelczer, Gregory Riviello, Re-Bing Wu and Herschel Rabitz
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
Finite-field calculation of static polarizabilities and hyperpolarizabilities of In+ and Sr
Yan-mei Yu, Bing-bing Suo, Hui-hui Feng, Heng Fan, and Wu-Ming Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 23 November 2015
Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2+ energies, g factors, transition rates, and lifetimes
I. Savukov, U. I. Safronova, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 23 November 2015
Multiconfiguration Dirac-Hartree-Fock calculations of excitation energies, oscillator strengths, and hyperfine structure constants for low-lying levels of Sm I
Fuyang Zhou, Yizhi Qu, Jiguang Li, and Jianguo Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 03 November 2015
Анализ фурье-спектра высокого разрешения полосы v6 молекулы cis-C2H2D2
Конов И.А., Чертавских Ю.В., Фомченко А.Л., Аслаповская Ю.С., Жданович С.А., Зидо К.
Изв. вузов. Физ., Vol: 58, No: 11 , published: 01 November 2015
Field-dressed orbitals in strong-field molecular ionization
Robert Siemering, Oumarou Njoya, Thomas Weinacht, and Regina de Vivie-Riedle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 30 October 2015
Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM scheme
Toshio Asada, Kanta Ando, Koji Sakurai, Shiro Koseki and Masataka Nagaoka
Phys. Chem. Chem. Phys., Vol: 17, No: 40 , published: 28 October 2015
Can far-IR action spectroscopy combined with BOMD simulations be conformation selective?
Jérôme Mahé, Sander Jaeqx, Anouk M. Rijs and Marie-Pierre Gaigeot
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Observation of the 5p3/26p3/2 electric-dipole-forbidden transition in atomic rubidium using optical-optical double-resonance spectroscopy
F. Ponciano-Ojeda, S. Hernández-Gómez, O. López-Hernández, C. Mojica-Casique, R. Colín-Rodríguez, F. Ramírez-Martínez, J. Flores-Mijangos, D. Sahagún, R. Jáuregui, and J. Jiménez-Mier
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 20 October 2015
Elucidating the Structure of Chiral Molecules by using Amplified Vibrational Circular Dichroism: From Theory to Experimental Realization
Sérgio R. Domingos, František Hartl, Wybren Jan Buma, Sander Woutersen
ChemPhysChem., Vol: 16, No: 16 , published: 16 October 2015
QED corrections to radiative recombination and radiative decay of heavy hydrogenlike ions
J. Holmberg, A. N. Artemyev, A. Surzhykov, V. A. Yerokhin, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 14 October 2015
Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model
Jeffrey R. Reimers, Laura K. McKemmish, Ross H. McKenzie and Noel S. Hush
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born–Oppenheimer breakdown corrections
Jeffrey R. Reimers, Laura K. McKemmish, Ross H. McKenzie and Noel S. Hush
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Electron–vibration entanglement in the Born–Oppenheimer description of chemical reactions and spectroscopy
Laura K. McKemmish, Ross H. McKenzie, Noel S. Hush and Jeffrey R. Reimers
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Carbon and proton Overhauser DNP from MD simulations and ab initio calculations: TEMPOL in acetone
Sami Emre Küçük, Timur Biktagirov and Deniz Sezer
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Correlation, Breit, and QED effects in spectra of Mg-like ions
E. A. Konovalova and M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 12 October 2015
Polarization measurement of dielectronic recombination transitions in highly charged krypton ions
Chintan Shah, Holger Jörg, Sven Bernitt, Stepan Dobrodey, René Steinbrügge, Christian Beilmann, Pedro Amaro, Zhimin Hu, Sebastian Weber, Stephan Fritzsche, Andrey Surzhykov, José R. Crespo López-Urrutia, and Stanislav Tashenov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 07 October 2015
Polarization measurement of dielectronic recombination transitions in highly charged krypton ions
Chintan Shah, Holger Jörg, Sven Bernitt, Stepan Dobrodey, René Steinbrügge, Christian Beilmann, Pedro Amaro, Zhimin Hu, Sebastian Weber, Stephan Fritzsche, Andrey Surzhykov, José R. Crespo López-Urrutia, and Stanislav Tashenov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 07 October 2015
Vibrational and coherence dynamics of molecules
Zhedong Zhang and Jin Wang
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
ABCluster: the artificial bee colony algorithm for cluster global optimization
Jun Zhang and Michael Dolg Jun Zhang and Michael Dolg
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Smooth heuristic optimization on a complex chemical subspace
Jennifer M. Elward and B. Christopher Rinderspacher
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Singlet lifetime measurements in an all-proton chemically equivalent spin system by hyperpolarization and weak spin lock transfers
Y. Zhang, K. Basu, J. W. Canary and A. Jerschow
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Quantum bottlenecks and unidirectional energy flow in molecules
David M. Leitner and Hari Datt Pandey
Annalen der Physik , Vol: 527, No: 9-10 , published: 01 October 2015
Актуальные вопросы квантовой химии многоэлектронных систем
Н. Д. Чувылкин, Е. А. Смоленский
Изв. РАН. Сер. хим., Vol: 2015, No: 10 , published: 01 October 2015
Frequency-dependent force fields for QMMM calculations
Ignat Harczuk, Olav Vahtras and Hans Ågren
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 10 September 2015
Polarization control of absorption of virtual dressed states in helium
Maurizio Reduzzi, Johan Hummert, Antoine Dubrouil, Francesca Calegari, Mauro Nisoli, Fabio Frassetto, Luca Poletto, Shaohao Chen, Mengxi Wu, Mette B. Gaarde, Kenneth Schafer, and Giuseppe Sansone
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 08 September 2015
Image molecular dipoles in surface enhanced Raman scattering
Cristian Mihail Teodorescu
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Waveguide-coupled directional Raman radiation for surface analysis
Chen Chen, Jin-Yang Li, Li Wang, Dan-Feng Lu and Zhi-Mei Qi
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Enhancement and extinction effects in surface-enhanced stimulated Raman spectroscopy
B. X. K. Chng, T. van Dijk, R. Bhargava and P. S. Carney
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Wavelength resolved specific optical rotations and homochiral equilibria
P. L. Polavarapu and C. L. Covington
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Quantum optimal control within the rotating-wave approximation
Maximilian Keck, Matthias M. Müller, Tommaso Calarco, and Simone Montangero
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 02 September 2015
Giant dipole oscillations and ionization of heavy atoms by intense electromagnetic fields
M. APOSTOL
Rom. Rep. Phys., Vol: 67, No: 3 , published: 01 September 2015
Does Hooke's law work in helical nanosprings?
Sudong Ben, Junhua Zhao, Timon Rabczuk
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
Semidefinite programming formulation of linear-scaling electronic structure theories
Srikant Veeraraghavan and David A. Mazziotti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Extreme ultraviolet and visible spectroscopy of promethiumlike heavy ions
Yusuke Kobayashi, Kai Kubota, Kazuki Omote, Akihiro Komatsu, Junpei Sakoda, Maki Minoshima, Daiji Kato, Jiguang Li, Hiroyuki A. Sakaue, Izumi Murakami, and Nobuyuki Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Optical Feshbach resonances: Field-dressed theory and comparison with experiments
T. L. Nicholson, S. Blatt, B. J. Bloom, J. R. Williams, J. W. Thomsen, J. Ye, and Paul S. Julienne
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis
Rodolfo O. Esquivel, Moyocoyani Molina-Espíritu, Sheila López-Rosa, Catalina Soriano-Correa, Carolina Barrientos-Salcedo, rof. Miroslav Kohout, Jesús S. Dehesa
ChemPhysChem., Vol: 16, No: 12 , published: 24 August 2015
Exploring electron pair behaviour in chemical bonds using the extracule density
Adam J. Proud, Dalton E. C. K. Mackenzie and Jason K. Pearson
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Important issues facing model-based approaches to tunneling transport in molecular junctions
Ioan Bâldea
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
A theoretical study of sum-frequency generation for chiral solutions near electronic resonance
Ren-hui Zheng, Wen-mei Wei and Qiang Shi
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Theoretical and experimental determination of L-shell decay rates, line widths, and fluorescence yields in Ge
M. Guerra, J. M. Sampaio, T. I. Madeira, F. Parente, P. Indelicato, J. P. Marques, J. P. Santos, J. Hoszowska, J.-Cl. Dousse, L. Loperetti, F. Zeeshan, M. Müller, R. Unterumsberger, and B. Beckhoff
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 19 August 2015
s-wave scattering lengths of the strongly dipolar bosons Dy162 and Dy164
Yijun Tang, Andrew Sykes, Nathaniel Q. Burdick, John L. Bohn, and Benjamin L. Lev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 10 August 2015
The rotational barrier of ethane and some of its hexasubstituted derivatives in terms of the forces acting on the electron distribution
Fernando Cortés-Guzmán, Gabriel Cuevas, Ángel Martín Pendás and Jesús Hernández-Trujillo
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption
Maciej Kamiński, Janusz Cukras, Magdalena Pecul, Antonio Rizzo and Sonia Coriani
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP
Maarten T. P. Beerepoot, Daniel H. Friese, Nanna H. List, Jacob Kongsted and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Процессы захвата альфа-частицами K-электронов при альфа-распаде сверхтяжелых ядер. I. Перезарядка при столкновениях альфа-частиц с ионами He+(1S)
Никулин В.К., Гущина Н.А.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Зарядовые, фотонные и электронные спектры при каскадном распаде состояний атома неона, возникающие при фотоионизации вблизи K-порога
Чайников А.П., Кочур А.Г., Явна В.А.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Потенциал и матричные элементы гамильтониана внутреннего вращения в молекулах в базисе функций Матье
Туровцев В.В., Орлов Ю.Д., Цирулев А.Н.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Относительные амплитуды внешних сателлитов мультиплетов супертонкой структуры спектра насыщения поглощения SiF4
Крылов И.Р., Акулинин Д.А., Чубыкин А.Д.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Траекторный анализ вращательной динамики молекул
Петров С.В., Локштанов С.Е.
Ж. эксперим. и теор. физ., Vol: 148, No: 2 , published: 01 August 2015
Like-charge ion pairs of hydronium and hydroxide in aqueous solution?
Manik Kumer Ghosh, Tae Hoon Choi and Cheol Ho Choi
Phys. Chem. Chem. Phys., Vol: 17, No: 25 , published: 25 July 2015
Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states
Bruno Senjean, Stefan Knecht, Hans Jørgen Aa. Jensen, and Emmanuel Fromager
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 24 July 2015
Dynamic dipole polarizabilities for the low-lying triplet states of helium
Yong-Hui Zhang, Li-Yan Tang, Xian-Zhou Zhang, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 24 July 2015
Polarizabilities of the 87Sr clock transition
C. Shi, J.-L. Robyr, U. Eismann, M. Zawada, L. Lorini, R. Le Targat, and J. Lodewyck
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 24 July 2015
Probing the π → π* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation
Le Yu, Chao Xu and Chaoyuan Zhu
Phys. Chem. Chem. Phys., Vol: 17, No: 27 , published: 21 July 2015
Coordination-Resolved Spectrometrics of Local Bonding and Electronic Dynamics of Au Atomic Clusters, Solid Skins, and Oxidized Foils
Wang Yu, Maolin Bo, Yongli Huang, Yan Wang, Can Li and Chang Q. Sun
ChemPhysChem., Vol: 16, No: 10 , published: 20 July 2015
Quantum electrodynamics mα6 and mα7lnα corrections to the fine splitting in Li and Be+
Mariusz Puchalski and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 17 July 2015
Quantized nonadiabatic coupling terms of H3+
Alexander Alijah, Julien Fremont, and Vladimir G. Tyuterev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 16 July 2015
Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations
Pavel S. Rukin, Alexandra Ya. Freidzon, Andrei V. Scherbinin, Vyacheslav A. Sazhnikov, Alexander A. Bagaturyants and Michael V. Alfimov
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Discrete variable representation of the Smoluchowski equation using a sinc basis set
Andrea Piserchia and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Coulomb-gauge calculation of the combined effect of correlation and QED for heliumlike highly charged ions
J. Holmberg, S. Salomonson, and I. Lindgren
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 09 July 2015
Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method
Patrick Cassam-Chenaï, Bingbing Suo, and Wenjian Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
van der Waals coefficients for positronium interactions with atoms
A. R. Swann, J. A. Ludlow, and G. F. Gribakin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
Relativistic configuration-interaction calculation of the 1s2s2 2S1/2    state of Li-like ions
L. Natarajan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
Experimental and theoretical studies of the coupled A1Σ+ and b3Π states of NaK
Heather Harker, Patrick Crozet, Amanda J. Ross, Kara Richter, Joshua Jones, Carl Faust, John Huennekens, Andrey V. Stolyarov, Houssam Salami, and Thomas Bergeman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
Ортогональность детерминантных функций в методе Хартри - Фока для высоковозбужденных электронных состояний
Глушков В.Н.
Оптика и спектроскопия, Vol: 119, No: 1 , published: 01 July 2015
Theoretical and Computational Study of a Complex System Consisting of Transition Metal Element(s): How to Understand and Predict Its Geometry, Bonding Nature, Molecular Property, and Reaction Behavior
Shigeyoshi Sakaki
Bull. Chem. Soc. Jpn., Vol: 88, No: 7 , published: 01 July 2015
Lamb shift for states with j=1/2
V. Patkóš and J. Zamastil
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 25 June 2015
S-matrix calculations of energy levels of sodiumlike ions
J. Sapirstein and K. T. Cheng (鄭國錚)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 24 June 2015
Quantum interference effects in saturated absorption spectroscopy of n=2 triplet-helium fine structure
A. Marsman, M. Horbatsch, and E. A. Hessels
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 22 June 2015
Quantum interference effects in saturated absorption spectroscopy of n=2 triplet-helium fine structure
A. Marsman, M. Horbatsch, and E. A. Hessels
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 22 June 2015
Nuclear-Spin-Induced Circular Dichroism in the Infrared Region for Liquids
Fang Chen, Guo-hua Yao, Zhen-lin Zhang, Fan-chen Liu and Dong-ming Chen
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Two-photon excitation to autoionizing states of He detected via radiative cascades to the metastable states
Andrej Mihelič and Matjaž Žitnik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 15 June 2015
Weak-field asymptotic theory of tunneling ionization including the first-order correction terms: Application to molecules
Vinh H. Trinh, Vinh N. T. Pham, Oleg I. Tolstikhin, and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 15 June 2015
Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulations
Nicolas Ferré, Nathalie Guihéry and Jean-Paul Malrieu
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
First principles potential for the cytosine dimer
Artür Manukyan and Adem Tekin
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Residual water in ionic liquids: clustered or dissociated?
Joshua E. S. J. Reid, Adam J. Walker and Seishi Shimizu
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Qualitative failure of a multiconfiguration method in prolate spheroidal coordinates in calculating dissociative photoionization of H2+
Daniel J. Haxton, Keith V. Lawler, and C. William McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 09 June 2015
Impacts of electrode potentials and solvents on the electroreduction of CO2: a comparison of theoretical approaches
Stephan N. Steinmann, Carine Michel, Renate Schwiedernoch and Philippe Sautet
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Neural network iterative diagonalization method to solve eigenvalue problems in quantum mechanics
Hua-Gen Yu
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
The Jahn–Teller effect in the presence of partial isotopic substitution: the [B with combining tilde]1E′′ state of NH2D and NHD2
Ashim Kumar Saha, Gautam Sarma, Chung-Hsin Yang, Sebastiaan Y. T. van de Meerakker, David H. Parker and Colin M. Western
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Borazine: spin blocker or not?
Debojit Bhattacharya, Suranjan Shil, Anirban Misra, Laimutis Bytautas and Douglas J. Klein
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Dirac-Fock calculations of K, L, and M-shell fluorescence and Coster-Kronig yields for Ne, Ar, Kr, Xe, Rn, and Uuo
J. M. Sampaio, T. I. Madeira, M. Guerra, F. Parente, J. P. Santos, P. Indelicato, and J. P. Marques
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 28 May 2015
Alignment-to-orientation conversion in a magnetic field at nonlinear excitation of the D2 line of rubidium: Experiment and theory
M. Auzinsh, A. Berzins, R. Ferber, F. Gahbauer, L. Kalvans, A. Mozers, and A. Spiss
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 21 May 2015
Perspectives on external electric fields in molecular simulation: progress, prospects and challenges
Niall J. English and Conor J. Waldron
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
Predicting accurate absolute binding energies in aqueous solution: thermodynamic considerations for electronic structure methods
Jan H. Jensen
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane
Jian-Hao Li, T. J. Zuehlsdorff, M. C. Payne and N. D. M. Hine
Phys. Chem. Chem. Phys., Vol: 17, No: 18 , published: 14 May 2015
Strongly correlated plexcitonics: evolution of the Fano resonance in the presence of Kondo correlations
A. Goker
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Поляризационные характеристики излучения ансамбля атомов при когерентном возбуждении в присутствии сильного магнитного поля
Петрашень А.Г., Сытенко Н.В.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
Глубокое рамановское охлаждение щелочно-земельных атомов
Анучина Ю.Д., Иванов В.С., Рождественский Ю.В.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
О задании нежестких движений молекулы несобственными элементами ее точеной группы
Буренин А.В.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
Nuclear electric quadrupole moment of gold from the molecular method
Régis Tadeu Santiago and Roberto Luiz Andrade Haiduke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 30 April 2015
Effect of nuclear motion on the critical nuclear charge for two-electron atoms
Andrew W. King, Luke C. Rhodes, Charles A. Readman, and Hazel Cox
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 29 April 2015
Classical description of H(1s) and H*(n=2) for cross-section calculations relevant to charge-exchange diagnostics
N. D. Cariatore, S. Otranto, and R. E. Olson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 28 April 2015
Interaction energy of nonidentical atoms
P. R. Berman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 27 April 2015
The n → π* interaction: a rapidly emerging non-covalent interaction
Santosh K. Singh and Aloke Das
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Singlet–triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin–flip methods
Collins U. Ibeji and Debashree Ghosh
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Two-color above-threshold and two-photon sequential double ionization beyond the dipole approximation
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
A. N. Grum-Grzhimailo, E. V. Gryzlova, E. I. Kuzmina, A. S. Chetverkina and S. I. Strakhova
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Spectra of barium, radium, and element 120: Application of the combined correlation-potential, singles-doubles, and configuration-interaction ab initio methods
J. S. M. Ginges and V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 15 April 2015
ERPA–APSG: a computationally efficient geminal-based method for accurate description of chemical systems
Ewa Pastorczak and Katarzyna Pernal
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Theoretical investigation of quadrupole contributions to surface sum-frequency vibrational spectroscopy
Ren-hui Zheng, Wen-mei Wei and Qiang Shi
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Tailoring the optical properties of lanthanide phosphors: prediction and characterization of the luminescence of Pr3+-doped LiYF4
Harry Ramanantoanina, Werner Urland, Benjamin Herden, Fanica Cimpoesu and Claude Daul
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Activation of C–H and B–H bonds through agostic bonding: an ELF/QTAIM insight
Emilie-Laure Zins, Bernard Silvi and M. Esmaïl Alikhani
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Squared form factors for the A1Π and B1Σ+ vibronic bands of carbon monoxide studied by high-resolution inelastic x-ray scattering
Dong-Dong Ni, Xu Kang, Ke Yang, Ya-Wei Liu, Xiao-Xun Mei, Xiao-Li Zhao, Long-Quan Xu, Nozomu Hiraoka, Ku-Ding Tsuei, and Lin-Fan Zhu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 07 April 2015
Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials
Suresh Kondati Natarajan, Tobias Morawietz and Jörg Behler
Phys. Chem. Chem. Phys., Vol: 17, No: 13 , published: 07 April 2015
Соотношение между волновыми функциями дискретного и непрерывного спектров и формула Ферми-Сегре
Зилитис В.А.
Оптика и спектроскопия, Vol: 118, No: 4 , published: 01 April 2015
Длины волн переходов 4 D-4 P, 0 -1 рентгеновских лазеров в Ni-подобных ионах с Z ≤ 79
Иванова Е.П.
Оптика и спектроскопия, Vol: 118, No: 4 , published: 01 April 2015
Исследование спектроскопических свойств двухатомных молекул на основе высоких порядков операторной теории возмущений
Бехтерева Е.С., Литвиновская А.Г., Конов И.А., Громова О.В., Чертавских Ю.В., Це Д.Ф., Улеников О.Н.
Изв. вузов. Физ., Vol: 58, No: 4 , published: 01 April 2015
Use of Modified Self-Frictional Laguerre Power Series for Study of Atomic Nuclear Attraction Integrals of Noninteger Slater-Type Orbitals and Coulomb–Yukawa-Like Potentials
I. I. Guseinov
Bull. Chem. Soc. Jpn., Vol: 88, No: 4 , published: 01 April 2015
Magic wavelengths for the 5s18s transition in rubidium
E. A. Goldschmidt, D. G. Norris, S. B. Koller, R. Wyllie, R. C. Brown, J. V. Porto, U. I. Safronova, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Exclusion principle for photons: Spin-statistic selection rules for multiphoton transitions in atomic systems
T. Zalialiutdinov, D. Solovyev, L. Labzowsky, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule
Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Features of chemical bonds based on the overlap polarizabilities: diatomic and solid-state systems with the frozen-density embedding approach
Renaldo T. Moura Jr., Gian C. S. Duarte, Thiago E. da Silva, Oscar L. Malta and Ricardo L. Longo
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 28 March 2015
Hilbert transform: Applications to atomic spectra
Kate A. Whittaker, James Keaveney, Ifan G. Hughes, and Charles S. Adams
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 25 March 2015
Quasiclassical quantum defect theory and the spectrum of highly excited rubidium atoms
Ali Sanayei, Nils Schopohl, Jens Grimmel, Markus Mack, Florian Karlewski, and József Fortágh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 23 March 2015
Theoretical characterization of the collective resonance states underlying the xenon giant dipole resonance
Yi-Jen Chen (陳怡蓁), Stefan Pabst, Antonia Karamatskou, and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 04 March 2015
Absolute measurement of radiative and Auger rates of Kshellvacancy states in highly charged Fe ions
R. Steinbrügge, S. Bernitt, S. W. Epp, J. K. Rudolph, C. Beilmann, H. Bekker, S. Eberle, A. Müller, O. O. Versolato, H.-C. Wille, H. Yavaş, J. Ullrich, and J. R. Crespo López-Urrutia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 03 March 2015
Nuclear recoil correction to the g factor of boron-like argon
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
A.A. Shchepetnov, D. A. Glazov, A. V. Volotka, V. M. Shabaev, I. I. Tupitsyn and G. Plunien
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Configuration-interaction many-body-perturbation-theory energy levels of four-valent Si i
I. M. Savukov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 25 February 2015
Relativistic extended-coupled-cluster method for the magnetic hyperfine structure constant
Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 23 February 2015
X-ray-photon scattering by an excited and ionized atom
Alexey N. Hopersky, Alexey M. Nadolinsky, Sergey A. Novikov, and Victor A. Yavna
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 17 February 2015
Fourier analysis of the nuclear flux density in diatomic molecules: A complementary tool to map potential-energy curves and to characterize vibrational wave functions
Jhon Fredy Pérez-Torres
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 17 February 2015
Semiclassical description of high-order-harmonic spectroscopy of the Cooper minimum in krypton
F. Cloux, B. Fabre, and B. Pons
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 12 February 2015
Electron-atom resonances: The complex-scaled multiconfigurational spin-tensor electron propagator method for the 2PBe shape resonance problem
Tsogbayar Tsednee, Liyuan Liang, and Danny L. Yeager
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 11 February 2015
Magic distances in the blockade mechanism of Rydberg p and d states
B. Vermersch, A. W. Glaetzle, and P. Zoller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 11 February 2015
Correlation effects in La, Ce, and lanthanide ions
M. S. Safronova, U. I. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 09 February 2015
Constrained control landscape for population transfer in a two-level system
Katharine Moore Tibbetts and Herschel Rabitz
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Fundamental frequency from classical molecular dynamics
Tomonori Yamada and Misako Aida
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials
Hainam Do and Nicholas A. Besley
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Hartree-Fock limit values of multipole moments, polarizabilities, and hyperpolarizabilities for atoms and diatomic molecules
Jacek Kobus
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 03 February 2015
Strong suppression of positron-induced double ionization of helium at low-to-intermediate velocities
A. X. Yang, X. R. Zou, C. N. Lin, W. B. Liu, S. T. Niu, X. M. Chen, and J. X. Shao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 02 February 2015
Quantum Mechanical Molecular Interactions for Calculating the Excitation Energy in Molecular Environments: A First-Order Interacting Space Approach
Jun-ya Hasegawa, Kazuma Yanai, Kazuya Ishimura
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Процессы ионизации атомов, находящихся в нестационарных состояниях, полем аттосекундного импульса
Д. Н. Макаров, В. И. Матвеев
Письма в ЖЭТФ, Vol: 101, No: 3 , published: 01 February 2015
Robust quantum logic in neutral atoms via adiabatic Rydberg dressing
Tyler Keating, Robert L. Cook, Aaron M. Hankin, Yuan-Yu Jau, Grant W. Biedermann, and Ivan H. Deutsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 28 January 2015
Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. III. Case study of the beryllium dimer
Michał Lesiuk, Michał Przybytek, Monika Musiał, Bogumił Jeziorski, and Robert Moszynski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 20 January 2015
Reversing hydride-ion formation in quantum-information experiments with Be+
Brian C. Sawyer, Justin G. Bohnet, Joseph W. Britton, and John J. Bollinger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 12 January 2015
Measured atomic ground-state polarizabilities of 35 metallic elements
Lei Ma, John Indergaard, Baiqian Zhang, Ilia Larkin, Ramiro Moro, and Walt A. de Heer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 07 January 2015
Measured atomic ground-state polarizabilities of 35 metallic elements
Lei Ma, John Indergaard, Baiqian Zhang, Ilia Larkin, Ramiro Moro, and Walt A. de Heer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 07 January 2015
Electron-correlation effects on the 3C to 3D line-intensity ratio in the Ne-like ions Ar8+ to Kr26+
Juan A. Santana, Jaan K. Lepson, Elmar Träbert, and Peter Beiersdorfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 07 January 2015
Современное развитие теории нелинейной ионизации атомов и ионов
Б. М. Карнаков, В. Д. Мур, С. В. Попруженко, В. С. Попов
Успехи физ. наук, Vol: 185, No: 1 , published: 01 January 2015
Angular-momentum couplings in long-range Rb2 Rydberg molecules
D. A. Anderson, S. A. Miller, and G. Raithel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 31 December 2014
QED calculation of the ground-state energy of berylliumlike ions
A. V. Malyshev, A. V. Volotka, D. A. Glazov, I. I. Tupitsyn, V. M. Shabaev, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 30 December 2014
QED calculation of the ground-state energy of berylliumlike ions
A. V. Malyshev, A. V. Volotka, D. A. Glazov, I. I. Tupitsyn, V. M. Shabaev, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 30 December 2014
Quantum optimal control theory applied to transitions in diatomic molecules
Marius Lysebo and Leif Veseth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 29 December 2014
Hydrodynamical interpretation of angular momentum and energy transfer in atomic processes
S. Y. Ovchinnikov, J. H. Macek, and D. R. Schultz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 24 December 2014
High-order nonlinear refractive indices for He, Ne, Kr, and Xe atoms
M. Tarazkar, D. A. Romanov, and R. J. Levis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 22 December 2014
Trajectory-based nonadiabatic molecular dynamics without calculating nonadiabatic coupling in the avoided crossing case: transcis photoisomerization in azobenzene
Le Yu, Chao Xu, Yibo Lei, Chaoyuan Zhu and Zhenyi Wen
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Rotationally resolved water dimer spectra in atmospheric air and pure water vapour in the 188–258 GHz range
E. A. Serov, M. A. Koshelev, T. A. Odintsova, V. V. Parshin and M. Yu. Tretyakov
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Formation of deeply bound ultracold LiRb molecules via photoassociation near the Li 2S1/2+Rb 5P3/2 asymptote
John Lorenz, Adeel Altaf, Sourav Dutta, Yong P. Chen, and D. S. Elliott
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 19 December 2014
Approximate forms of the pair-density-functional kinetic energy on the basis of a rigorous expression with coupling-constant integration
Katsuhiko Higuchi and Masahiko Higuchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 15 December 2014
Predicting bond strength from a single Hartree–Fock ground state using the localized pair model
Dylan C. Hennessey, Brendan J. H. Sheppard, Dalton E. C. K. Mackenzie and Jason K. Pearson
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 December 2014
Exact results for models of multichannel quantum nonadiabatic transitions
N. A. Sinitsyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 11 December 2014
Quantum beat spectroscopy: Stimulated emission probe of hyperfine quantum beats in the atomic Cs 8p2P3/2 level
S. B. Bayram, P. Arndt, O. I. Popov, C. Güney, W. P. Boyle, M. D. Havey, and J. McFarland
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 11 December 2014
Prediction of a weakly bound excited state of Efimov character in a Li7He24 system
Meng-Shan Wu, Hui-Li Han, Cheng-Bin Li, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 08 December 2014
Branching ratios and radiative lifetimes of the U, L, and I states of thorium oxide
Damian L. Kokkin, Timothy C. Steimle, and David DeMille
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 04 December 2014
Collective effects in linear spectroscopy of dipole-coupled molecular arrays
A. A. Kocherzhenko, J. Dawlaty, B. P. Abolins, F. Herrera, D. B. Abraham, and K. B. Whaley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 02 December 2014
Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules
Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Quantum defect theory for cold chemistry with product-quantum-state resolution
Jisha Hazra, Brandon P. Ruzic, John L. Bohn, and N. Balakrishnan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Misleading Classification of Isomers and Stereoisomers in Organic Chemistry
Shinsaku Fujita
Bull. Chem. Soc. Jpn., Vol: 87, No: 12 , published: 01 December 2014
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures
Stefanie A. Bäppler, Felix Plasser, Michael Wormit, and Andreas Dreuw
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 26 November 2014
Approach towards the critical charge of some excited states of the Be isoelectronic series
Jacob Katriel, J. P. Marques, P. Indelicato, A. M. Costa, M. C. Martins, J. P. Santos, and F. Parente
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 25 November 2014
Ab initio non-Born-Oppenheimer simulations of rescattering dissociation of H2 in strong infrared laser fields
Zhi-Chao Li and Feng He
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 20 November 2014
Universality in Efimov-associated tetramers in He4
E. Hiyama and M. Kamimura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 18 November 2014
Relativistic calculations of C6 and C8 coefficients for strontium dimers
S. G. Porsev, M. S. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 18 November 2014
Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity–violation effects
A. D. Kudashov, A. N. Petrov, L. V. Skripnikov, N. S. Mosyagin, T. A. Isaev, R. Berger, and A. V. Titov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 17 November 2014
Scaling in the correlation energies of atomic ions
A. Odriazola, A. González, and E. Räsänen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 14 November 2014
Where does the Raman optical activity of [Rh(en)3]3+ come from? Insight from a combined experimental and theoretical approach
Marie Humbert-Droz, Patric Oulevey, Latévi Max Lawson Daku, Sandra Luber, Hans Hagemann and Thomas Bürgi
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Atomic properties of Cd-like and Sn-like ions for the development of frequency standards and search for the variation of the fine-structure constant
M. S. Safronova, V. A. Dzuba, V. V. Flambaum, U. I. Safronova, S. G. Porsev, and M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 13 November 2014
Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method
V. S. Prasannaa, M. Abe, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 12 November 2014
Application of the many-electron weak-field asymptotic theory of tunneling ionization to atoms
Inga Yu. Tolstikhina, Toru Morishita, and Oleg I. Tolstikhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 11 November 2014
Coriolis interaction and the division of energy between vibrational and rotational excitation induced by photoelectron recoil
T. Darrah Thomas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Laser cooling of the alkaline-earth-metal monohydrides: Insights from an ab initio theory study
Yufeng Gao and Tao Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Relativistic many-body analysis of the electric dipole moment of Rn223
B. K. Sahoo, Yashpal Singh, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 07 November 2014
Spin–flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules
Nicholas J. Mayhall, Paul R. Horn, Eric J. Sundstrom and Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Relativistic effects in photoionization time delay near the Cooper minimum of noble-gas atoms
Soumyajit Saha, Ankur Mandal, Jobin Jose, Hari R. Varma, P. C. Deshmukh, A. S. Kheifets, V. K. Dolmatov, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 06 November 2014
Electron-emission processes in highly charged Ar and Xe ions impinging on highly ordered pyrolytic graphite at energies just above the kinetic threshold
E. Bodewits, R. Hoekstra, K. Dobes, and F. Aumayr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 06 November 2014
Peculiarities of resonance fluorescence statistics for a two-level atom in frequency selective feedback loop
Vladimir A. Tomilin, Leonid V. Il'ichov
Annalen der Physik , Vol: 526, No: 11-12 , published: 01 November 2014
Фотоионизация атомов благородных газов ультракороткими электромагнитными импульсами
Астапенко В.А., Свита С.Ю.
Ж. эксперим. и теор. физ., Vol: 146, No: 5 , published: 01 November 2014
Calculation of fine-structure splittings in high-lying F2 states of rubidium
S. A. Blundell
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 31 October 2014
A continuum solvent model of ion–ion interactions in water
Timothy T. Duignan, Drew F. Parsons and Barry W. Ninham
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems
Gunnar Schmitz, Christof Hättig and David P. Tew
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules
Rituparna Bhattacharjee and Ram Kinkar Roy
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Solvation chemical shifts of perylenic antenna molecules from molecular dynamics simulations
Nergiz Özcan, Jiří Mareš, Dage Sundholm and Juha Vaara
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Relativistic global and local divergences in hydrogenic systems: A study in position and momentum spaces
J. Antolín, J. C. Angulo, S. Mulas, and S. López-Rosa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 27 October 2014
Spin-exchange narrowing of the atomic ground-state resonances
W. Chalupczak, P. Josephs-Franks, B. Patton, and S. Pustelny
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 21 October 2014
Hamiltonian formulation of the standard PT-symmetric nonlinear Schrödinger dimer
I. V. Barashenkov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 14 October 2014
A uniform approach to the description of multicenter bonding
Dariusz W. Szczepanik, Marcin Andrzejak, Karol Dyduch, Emil Żak, Marcin Makowski, Grzegorz Mazur and Janusz Mrozek
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
The effect of pump-2 laser on Autler–Townes splitting in photoelectron spectra of K2 molecule
Wei Guo, Xingqiang Lu, Xinlin Wang and Hongbin Yao
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
Empirical formula for over-barrier strong-field ionization
Qingbin Zhang, Pengfei Lan, and Peixiang Lu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 13 October 2014
Central-field model for the γ spectrum of positrons annihilating on rare-gas atoms
Yongjun Cheng and J. Mitroy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 06 October 2014
Ionization-excitation of helium by high-resolution (e,2e) spectroscopy and 4-body distorted-wave calculations
X. L. Chen, A. L. Harris, J. M. Li, T. P. Esposito, J. K. Deng, and C. G. Ning
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 01 October 2014
Band structure and spin–orbit coupling engineering in transition-metal dichalcogenides
Jaroslav Fabian
Annalen der Physik , Vol: 526, No: 9-10 , published: 01 October 2014
Unified Treatment of One-Range Addition Theorems for Complete Orthonormal Sets of Generalized Exponential-Type Orbitals and Noninteger n Slater Functions
Israfil I. Guseinov
Bull. Chem. Soc. Jpn., Vol: 87, No: 10 , published: 01 October 2014
Variational energy bounds for the hydrogen molecular ion
Ye Ning and Zong-Chao Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 30 September 2014
Metastable compound states of an antiproton and a hydrogen atom
Kazuhiro Sakimoto
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 29 September 2014
Probing an excited-state atomic transition using hyperfine quantum-beat spectroscopy
C. G. Wade, N. Šibalić, J. Keaveney, C. S. Adams, and K. J. Weatherill
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 September 2014
Relativistic all-order calculations of Th, Th+, and Th2+ atomic properties
M. S. Safronova, U. I. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 September 2014
Transition energy measurements in hydrogenlike and heliumlike ions strongly supporting bound-state QED calculations
K. Kubiček, P. H. Mokler, V. Mäckel, J. Ullrich, and J. R. Crespo López-Urrutia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 22 September 2014
Transition energy measurements in hydrogenlike and heliumlike ions strongly supporting bound-state QED calculations
K. Kubiček, P. H. Mokler, V. Mäckel, J. Ullrich, and J. R. Crespo López-Urrutia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 22 September 2014
Three-body bound states and structure calculations of the He2Ne system using the slow variable discretization method
Muhammad Saleem Shahzad and Yong Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 22 September 2014
Fast single-molecule FRET spectroscopy: theory and experiment
Hoi Sung Chung and Irina V. Gopich
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Exploiting level anti-crossings (LACs) in the rotating frame for transferring spin hyperpolarization
Andrey N. Pravdivtsev, Alexandra V. Yurkovskaya, Nikita N. Lukzen, Hans-Martin Vieth and Konstantin L. Ivanov
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Efficient optical schemes to create ultracold KRb molecules in their rovibronic ground state
D. Borsalino, B. Londoño-Florèz, R. Vexiau, O. Dulieu, N. Bouloufa-Maafa, and E. Luc-Koenig
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 15 September 2014
Ab initio X10+ ground state potential curves of PbRG dimers (RG = He, Ne, Ar) including spin–orbit effects. Simulation of diffusion coefficients
Vladimir Sladek, Lukáš Bučinský, Ján Matuška, Michal Ilčin, Vladimír Lukeš and Viliam Laurinc
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 September 2014
Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays
A. Crawford-Uranga, U. De Giovannini, E. Räsänen, M. J. T. Oliveira, D. J. Mowbray, G. M. Nikolopoulos, E. T. Karamatskos, D. Markellos, P. Lambropoulos, S. Kurth, and A. Rubio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 11 September 2014
Pursuit of quantum monodromy in the far-infrared and mid-infrared spectra of NCNCS using synchrotron radiation
Manfred Winnewisser, Brenda P. Winnewisser, Frank C. De Lucia, Dennis W. Tokaryk, Stephen C. Ross and Brant E. Billinghurst
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
Bonding and spectroscopic properties of complexes of SO2–O2 and SO2–N2 and its atmospheric consequences
Samiyara Begum and Ranga Subramanian
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
Photoionization of atoms and molecules studied by the Crank-Nicolson method
Xue-Bin Bian
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 04 September 2014
Scaling behavior of the ground-state antihydrogen yield as a function of positron density and temperature from classical-trajectory Monte Carlo simulations
B. Radics, D. J. Murtagh, Y. Yamazaki, and F. Robicheaux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
Thermal dispersion potential of a diamagnetic atom
Puxun Wu and Hongwei Yu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
Strong enhancement of parity violation effects in chiral uranium compounds
Michael Wormit, Małgorzata Olejniczak, Anna-Lena Deppenmeier, Anastasia Borschevsky, Trond Saue and Peter Schwerdtfeger
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
The Local Kinetic Energy Profile of an Inverted Carbon—Carbon Bond Reveals and Refines its Charge-Shift Character
Heiko Jacobsen
ChemPhysChem., Vol: 15, No: 12 , published: 25 August 2014
Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Application
Anthony D. Dutoi and Lorenz S. Cederbaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 21 August 2014
A new exchange–correlation functional free of delocalization and static correlation errors
Yu Liu and Jianzhong Wu
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes
Ekaterina V. Bartashevich, Ángel Martín Pendás and Vladimir G. Tsirelson
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Reservoir spectroscopy of 5s5p 3P25snd 3D1,2,3 transitions in strontium
Simon Stellmer and Florian Schreck
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 20 August 2014
Relativistic configuration-interaction calculation of Kα transition energies in berylliumlike iron
V. A. Yerokhin, A. Surzhykov, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 15 August 2014
Off-axis low-energy structures in above-threshold ionization
M. Möller, F. Meyer, A. M. Sayler, G. G. Paulus, M. F. Kling, B. E. Schmidt, W. Becker, and D. B. Milošević
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 15 August 2014
The role of the low-lying dark nπ* states in the photophysics of pyrazine: a quantum dynamics study
Matthieu Sala, Benjamin Lasorne, Fabien Gatti and Stéphane Guérin
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Left or right cholesterics? A matter of helix handedness and curliness
Elisa Frezza, Alberta Ferrarini, Hima Bindu Kolli, Achille Giacometti and Giorgio Cinacchi
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
A quantum algorithm for obtaining the energy spectrum of a physical system without guessing its eigenstates
Hefeng Wang
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Моделирование химических свойств сверхтяжелых элементов «острова стабильности»
Ю. А. Демидов, А. В. Зайцевский
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 August 2014
Comparative studies of density-functional approximations for light atoms in strong magnetic fields
Wuming Zhu, Liang Zhang, and S. B. Trickey
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 11 August 2014
Analysis of parahydrogen polarized spin system in low magnetic fields
P. Türschmann, J. Colell, T. Theis, B. Blümich and S. Appelt
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
Application of relativistic coupled-cluster theory to the effective electric field in YbF
M. Abe, G. Gopakumar, M. Hada, B. P. Das, H. Tatewaki, and D. Mukherjee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 06 August 2014
Nuclear-Spin-Induced Cotton–Mouton Effect in a Strong External Magnetic Field
Li-juan Fu, Juha Vaara
ChemPhysChem., Vol: 15, No: 11 , published: 04 August 2014
Exploring the structure–aromaticity relationship in Hückel and Möbius N-fused pentaphyrins using DFT
M. Alonso, P. Geerlings and F . De Proft
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach
A. M. Teale, F. De Proft, P. Geerlings and D. J. Tozer
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shell
Zino Boisdenghien, Stijn Fias, Christian Van Alsenoy, Frank De Proft and Paul Geerlings
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Dye chemistry with time-dependent density functional theory
Adèle D. Laurent, Carlo Adamo and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
One-electron self-interaction and the asymptotics of the Kohn–Sham potential: an impaired relation
Tobias Schmidt, Eli Kraisler, Leeor Kronik and Stephan Kümmel
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Density functional tight binding: values of semi-empirical methods in an ab initio era
Qiang Cui and Marcus Elstner
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
The derivative discontinuity of the exchange–correlation functional
Paula Mori-Sánchez and Aron J. Cohen
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Excited states using the simplified Tamm–Dancoff-Approach for range-separated hybrid density functionals: development and application
Tobias Risthaus, Andreas Hansen and Stefan Grimme
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes
Tangui Le Bahers, Eric Brémond, Ilaria Ciofini and Carlo Adamo
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
A third-generation density-functional-theory-based method for calculating canonical molecular orbitals of large molecules
Toshiyuki Hirano and Fumitoshi Sato
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Challenging adiabatic time-dependent density functional theory with a Hubbard dimer: the case of time-resolved long-range charge transfer
Johanna I. Fuks and Neepa T. Maitra
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue
Vincent Tognetti and Laurent Joubert
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Exchange–correlation functionals from the strong interaction limit of DFT: applications to model chemical systems
Francesc Malet, André Mirtschink, Klaas J. H. Giesbertz, Lucas O. Wagner and Paola Gori-Giorgi
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Revisiting the density scaling of the non-interacting kinetic energy
Alex Borgoo, Andrew M. Teale and David J. Tozer
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Ligand field density functional theory for the prediction of future domestic lighting
Harry Ramanantoanina, Werner Urland, Amador García-Fuente, Fanica Cimpoesu and Claude Daul
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Calculation of screened Coulomb potential matrices and its application to He bound and resonant states
Li Guang Jiao and Yew Kam Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 21 July 2014
Intermolecular vibrational energy transfers in liquids and solids
Hailong Chen, Xiewen Wen, Xunmin Guo and Junrong Zheng
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Quantum yield in blue-emitting anthracene derivatives: vibronic coupling density and transition dipole moment density
Motoyuki Uejima, Tohru Sato, Daisuke Yokoyama, Kazuyoshi Tanaka and Jong-Wook Park
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Combination of the single-double–coupled-cluster and the configuration-interaction methods: Application to barium, lutetium, and their ions
V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 18 July 2014
Spontaneous decay of an atom excited in a dense and disordered atomic ensemble: Quantum microscopic approach
A. S. Kuraptsev and I. M. Sokolov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 14 July 2014
Complexes formed between DNA and poly(amido amine) dendrimers of different generations – modelling DNA wrapping and penetration
Khawla Qamhieh, Tommy Nylander, Camilla F. Black, George S. Attard, Rita S. Dias and Marie-Louise Ainalem
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X2Π) by He
Yulia Kalugina, François Lique and Sarantos Marinakis
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
SeD radical as a probe for the measurement of the time variation of the fine-structure constant α and proton-to-electron mass ratio μ
Gaurab Ganguly, Avijit Sen, Manas Mukherjee, and Ankan Paul
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 10 July 2014
Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory
Michael Ruggenthaler, Johannes Flick, Camilla Pellegrini, Heiko Appel, Ilya V. Tokatly, and Angel Rubio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 09 July 2014
Ground- and excited-state properties of the polar and paramagnetic RbSr molecule: A comparative study
Piotr S. Żuchowski, R. Guérout, and O. Dulieu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 09 July 2014
Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms
Himadri Pathak, Aryya Ghosh, B. K. Sahoo, B. P. Das, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 08 July 2014
Hybrid Gaussian–B-spline basis for the electronic continuum: Photoionization of atomic hydrogen
Carlos Marante, Luca Argenti, and Fernando Martín
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 08 July 2014
Measurement of the scalar third-order electric polarizability of the Cs ground state using coherent-population-trapping spectroscopy in Ramsey geometry
Jean-Luc Robyr, Paul Knowles, and Antoine Weis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 07 July 2014
Doppler-corrected Balmer spectroscopy of Rydberg positronium
A. C. L. Jones, T. H. Hisakado, H. J. Goldman, H. W. K. Tom, A. P. Mills, Jr., and D. B. Cassidy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 03 July 2014
Atomic properties of superheavy elements No, Lr, and Rf
V. A. Dzuba, M. S. Safronova, and U. I. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 03 July 2014
Universality and scaling in the N-body sector of Efimov physics
M. Gattobigio and A. Kievsky
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 02 July 2014
Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study
Thomas Lohmiller, Vera Krewald, Montserrat Pérez Navarro, Marius Retegan, Leonid Rapatskiy, Marc M. Nowaczyk, Alain Boussac, Frank Neese, Wolfgang Lubitz, Dimitrios A. Pantazis and Nicholas Cox
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
The angular overlap model extended for two-open-shell f and d electrons
Harry Ramanantoanina, Werner Urland, Fanica Cimpoesu and Claude Daul
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Implementation and application of the relativistic equation-of-motion coupled-cluster method for the excited states of closed-shell atomic systems
D. K. Nandy, Yashpal Singh, and B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 19 June 2014
Systematic experimental charge density analysis of anion receptor complexes
Isabelle L. Kirby, Mark Brightwell, Mateusz B. Pitak, Claire Wilson, Simon J. Coles and Philip A. Gale
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
The non-covalent nature of the molecular structure of the benzene molecule
Thiago Messias Cardozo, Felipe Fantuzzi and Marco Antonio Chaer Nascimento
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Zeeman interaction in ThO H3Δ1 for the electron electric-dipole-moment search
A. N. Petrov, L. V. Skripnikov, A. V. Titov, N. R. Hutzler, P. W. Hess, B. R. O'Leary, B. Spaun, D. DeMille, G. Gabrielse, and J. M. Doyle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 11 June 2014
Gd3+ spin labeling for distance measurements by pulse EPR spectroscopy
Daniella Goldfarb
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Where macro meets micro
R. Stephen Berry, Boris M. Smirnov
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters
R. B. Gerber, D. Shemesh, M. E. Varner, J. Kalinowski,  B. Hirshberg
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Comparative dynamics of the two channels of the reaction of D + MuH
F. J. Aoiz, J. Aldegunde, V. J. Herrero, V. Sáez-Rábanos
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy
R. Chaudret, B. de Courcy, J. Contreras-García, E. Gloaguen, A. Zehnacker-Rentien, M. Mons, J.-P. Piquemal
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers
Teresa Fornaro, Malgorzata Biczysko, Susanna Monti,  Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Prospects for transferring 87Rb84Sr dimers to the rovibrational ground state based on calculated molecular structures
Tao Chen, Shaobing Zhu, Xiaolin Li, Jun Qian, and Yuzhu Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 04 June 2014
Two-dimensional pseudospectral Hartree-Fock method for low-Z atoms in intense magnetic fields
Anand Thirumalai and Jeremy S. Heyl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 30 May 2014
Dissociative recombination of LiH2+
R. D. Thomas, A. Ehlerding, W. D. Geppert, F. Hellberg, V. Zhaunerchyk, M. Larsson, E. Bahati, M. E. Bannister, M. R. Fogle, and C. R. Vane
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 29 May 2014
Coulomb pairing and photo-double-ionization in benzene and other aromatic molecules
D. L. Huber
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 28 May 2014
Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules
David Ferro-Costas, Ángel Martín Pendás, Leticia González and Ricardo A. Mosquera
Phys. Chem. Chem. Phys., Vol: 16, No: 20 , published: 28 May 2014
2-Colour photolithography
John T. Fourkas, John S. Petersen
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Quantum entanglement in carbon–carbon, carbon–phosphorus and silicon–silicon bonds
Matthieu Mottet, Paweł Tecmer, Katharina Boguslawski, Örs Legeza, Markus Reiher
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Non-linear optical properties of molecules in heterogeneous environments: a quadratic density functional/molecular mechanics response theory
Zilvinas Rinkevicius, Xin Li, Jaime A. R. Sandberg, Hans Ågren
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin–orbit contributions are affected
Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Masahiro Kitagawa, Takeji Takui
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Relativistic many-body calculation of energies, transition rates, lifetimes, and multipole polarizabilities in Cs-like La iii
U. I. Safronova and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 20 May 2014
Systems with Competing Interlayer Interactions and Modulations in One Direction: Finding their Structures
Mojca Čepič
ChemPhysChem., Vol: 15, No: 7 , published: 19 May 2014
From the Molecular Structure to Spectroscopic and Material Properties: Computational Investigation of a Bent-Core Nematic Liquid Crystal
Cristina Greco, Alberto Marini, Elisa Frezza, Alberta Ferrarini
ChemPhysChem., Vol: 15, No: 7 , published: 19 May 2014
Theoretical study of the isotope effects on the detachment thresholds of Si
T. Carette and M. R. Godefroid
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 16 May 2014
Aqueous solvation of HgClOH. Stepwise DFT solvation and Born–Oppenheimer molecular dynamics studies of the HgClOH–(H2O)24 complex
J. I. Amaro-Estrada, L. Maron,  A. Ramírez-Solís
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Computational investigation of charge injection and transport properties of a series of thiophene–pyrrole based oligo-azomethines
Harikrishna Sahu, Aditya N. Panda
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Consequences of CO2 solubility for hydrate formation from carbon dioxide containing water and other impurities
Bjørn Kvamme, Tatiana Kuznetsova, Bjørnar Jensen, Sigvat Stensholt, Jordan Bauman, Sara Sjøblom, Kim Nes Lervik  
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Complete supermultiplet structures for the doubly excited intrashell resonances of H associated with the H (N=2, 3, and 4) thresholds
L. G. Jiao and Y. K. Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 13 May 2014
Born-Oppenheimer study of two-component few-particle systems under one-dimensional confinement
N. P. Mehta
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 13 May 2014
Relativistic ground state of a hydrogenlike molecular ion
M. L. Glasser
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 13 May 2014
Width of KL2,3 atomic levels for Ca, Fe, and Zn
Karol Kozioł
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 12 May 2014
State-dependent fluorescence yields through the core-valence Coulomb exchange parameter
Piter S. Miedema, Philippe Wernet, and Alexander Föhlisch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 12 May 2014
Multichannel quantum-defect theory for ion-atom interactions
Ming Li, Li You, and Bo Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 08 May 2014
Time-dependent R-matrix theory applied to two-photon double ionization of He
H. W. van der Hart
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 07 May 2014
Electronic and nuclear flux densities in the H2 molecule
G. Hermann, B. Paulus, J. F. Pérez-Torres, and V. Pohl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 07 May 2014
Coherent cancellation of geometric phase for the OH molecule in external fields
M. Bhattacharya, S. Marin, and M. Kleinert
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 06 May 2014
Strong-field approximation for above-threshold ionization of polyatomic molecules. II. The role of electron rescattering off the molecular centers
E. Hasović and D. B. Milošević
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 02 May 2014
Two-photon transitions with cascades: Two-photon transition rates and two-photon level widths
T. Zalialiutdinov, D. Solovyev, L. Labzowsky, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 01 May 2014
He in a magnetic field: Structure and stability
J. A. Salas and K. Varga
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 01 May 2014
Floating orbital molecular dynamics simulations
Eva Perlt, Marc Brüssel, Barbara Kirchner
Phys. Chem. Chem. Phys., Vol: 16, No: 15 , published: 21 April 2014
An interatomic potential for saturated hydrocarbons based on the modified embedded-atom method
S. Nouranian, M. A. Tschopp, S. R. Gwaltney, M. I. Baskes and M. F. Horstemeyer
Phys. Chem. Chem. Phys., Vol: 16, No: 13 , published: 07 April 2014
Modulation characteristics of resonance lines of Cs atoms in cells with antirelaxation coating
D. I. Sevostianov, V. P. Yakovlev, A. N. Kozlov, V. V. Vasil’ev, S. A. Zibrov, V. L. Velichansky
Кpатк. сообщ. по физ. ФИAН, Vol: 2014, No: 4 , published: 01 April 2014
Population transfer between valence states via autoionizing states using two-color ultrafast π pulses in XUV and the limitations of adiabatic passage
X. Li, C. W. McCurdy, and D. J. Haxton
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 31 March 2014
Ab initio determination of the P- and T-violating coupling constants in atomic Xe by the relativistic-coupled-cluster method
Yashpal Singh, B. K. Sahoo, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 31 March 2014
Mode-channel interdependence of the vibrational excitations associated with K-shell photoionization of CO2
Yury S. Krivosenko and Andrey A. Pavlychev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 31 March 2014
Molecular Siegert states in an electric field. II. Transverse momentum distribution of the ionized electrons
Vinh N. T. Pham, Oleg I. Tolstikhin, and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 25 March 2014
Exploring energy landscapes: from molecular to mesoscopic systems
Dwaipayan Chakrabarti, Halim Kusumaatmaja, Victor Rühle, David J. Wales
Phys. Chem. Chem. Phys., Vol: 16, No: 11 , published: 21 March 2014
Weakly bound 87Rb2 (5s1/2+5p1/2)1g molecules: Hyperfine interaction and LeRoy-Bernstein analysis including linear and nonlinear terms
Haikel Jelassi and Laurence Pruvost
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 20 March 2014
Coherent versus incoherent excitation dynamics in dissipative many-body Rydberg systems
David W. Schönleber, Martin Gärttner, and Jörg Evers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 19 March 2014
Theoretical transition frequencies beyond 0.1 ppb accuracy in H2+, HD+, and antiprotonic helium
Vladimir I. Korobov, Laurent Hilico, and Jean-Philippe Karr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 14 March 2014
Theoretical transition frequencies beyond 0.1 ppb accuracy in H2+, HD+, and antiprotonic helium
Vladimir I. Korobov, Laurent Hilico, and Jean-Philippe Karr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 14 March 2014
Test of mp/me changes using vibrational transitions in N2+
Masatoshi Kajita, Geetha Gopakumar, Minori Abe, Masahiko Hada, and Matthias Keller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 13 March 2014
Application of the weak-field asymptotic theory to tunneling ionization of H2O
Lars Bojer Madsen, Frank Jensen, Oleg I. Tolstikhin, and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 12 March 2014
QED correction for H3+
Lorenzo Lodi, Oleg L. Polyansky, Jonathan Tennyson, Alexander Alijah, and Nikolai F. Zobov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 10 March 2014
p-H symmetry breaking in dissociative photoionization of H2 due to the molecular ion interacting with the ejected electron
Vladislav V. Serov and A. S. Kheifets
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 07 March 2014
Charge asymmetry and relativistic corrections in pure vibrational states of the HD+ ion
Monika Stanke and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 07 March 2014
Optical sideband spectroscopy of a single ion in a Penning trap
S. Mavadia, G. Stutter, J. F. Goodwin, D. R. Crick, R. C. Thompson, and D. M. Segal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 06 March 2014
Nonstatistical fragmentation of large molecules
M. H. Stockett, H. Zettergren, L. Adoui, J. D. Alexander, U. Bērziņš, T. Chen, M. Gatchell, N. Haag, B. A. Huber, P. Hvelplund, A. Johansson, H. A. B. Johansson, K. Kulyk, S. Rosén, P. Rousseau, K. Støchkel, H. T. Schmidt, and H. Cederquist
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 06 March 2014
Adiabaticity condition for non-Hermitian Hamiltonians
S. Ibáñez and J. G. Muga
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 04 March 2014
R-matrix calculations of triplet gerade states of molecular hydrogen and their use for high-resolution spectroscopy
H. Oueslati, F. Argoubi, S. Bezzaouia, M. Telmini, and Ch. Jungen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 04 March 2014
Theoretical analysis of the role of Coulomb interactions in single and double photoionization of the helium dimer using numerical model simulations
Hongcheng Ni and Andreas Becker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 04 March 2014
Comparative quantum and semiclassical analysis of atom-field systems. I. Density of states and excited-state quantum phase transitions
M. A. Bastarrachea-Magnani, S. Lerma-Hernández, and J. G. Hirsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 03 March 2014
Comparative quantum and semiclassical analysis of atom-field systems. II. Chaos and regularity
M. A. Bastarrachea-Magnani, S. Lerma-Hernández, and J. G. Hirsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 03 March 2014
Динамика электронных переходов и спектры переизлучения аттосекундных импульсов электромагнитного поля
В. И. Матвеев, Д. Н. Макаров
Письма в ЖЭТФ, Vol: 99, No: 5 , published: 01 March 2014
Атом водорода в сильном магнитном поле
В.С. Попов, Б.М. Карнаков
Успехи физ. наук, Vol: 184, No: 3 , published: 01 March 2014
Проявления рассеяния молекул на малые углы в контуре спектральных линий
Кочанов В.П.
Ж. эксперим. и теор. физ., Vol: 145, No: 3 , published: 01 March 2014
Диссоциация колебательно-возбужденных гетероядерных молекул интенсивным инфракрасным полем
Попов А.М., Тихонова О.В., Харин В.Ю.
Ж. эксперим. и теор. физ., Vol: 145, No: 3 , published: 01 March 2014
Heteronuclear Cross-Relaxation Effects in the NMR Spectroscopy of Hyperpolarized Targets
Kevin J. Donovan, Adonis Lupulescu, Lucio Frydman
ChemPhysChem., Vol: 15, No: 3 , published: 24 February 2014
Mixed Quantum-Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Screening of the Excitonic Coupling
Jörg Megow,  Thomas Renger, Volkhard May
ChemPhysChem., Vol: 15, No: 3 , published: 24 February 2014
An analytical data inversion method for magnetic circular dichroism spectra dominated by the “B-term”
Jeffrey R. Reimers, Elmars Krausz
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
Theoretical and experimental determination of the absorption and emission spectra of a prototypical indolenine-based squaraine dye
Raffaele Borrelli, Silvano Ellena, Claudia Barolo
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
The electronegativity equalization method fused with molecular mechanics: a fluctuating charge and flexible body potential function for [Emim][Gly] ionic liquids
Yang Wu, Yao Li, Na Hu,  Mei Hong
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
Molecular resolvent-operator method: Electronic and nuclear dynamics in strong-field ionization
F. Catoire, R. E. F. Silva, P. Rivière, H. Bachau, and F. Martín
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 2 , published: 13 February 2014
Principles of phosphorescent organic light emitting devices
Boris Minaev, Gleb Baryshnikov, Hans Agren
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation
Vincenzo Barone, Malgorzata Biczysko, Julien Bloino
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Non-equivalent conformations of D-amino acid oxidase dimer from porcine kidney between the two subunits. Molecular dynamics simulation and photoinduced electron transfer
Arthit Nueangaudom, Kiattisak Lugsanangarm, Somsak Pianwanit, Sirirat Kokpol, Nadtanet Nunthaboot, Fumio Tanaka
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach
Yevgen P. Yurenko, Jan Novotný, Vladimir Sklenář, Radek Marek
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Multichannel quantum defect theory for polar molecules
Sergei V. Elfimov, Dmitrii L. Dorofeev, and Boris A. Zon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 2 , published: 06 February 2014
Новый метод решения проблемы ‘Z > 137’ и определения уровней энергии водородоподобных атомов
В.П. Незнамов, И.И. Сафронов
Успехи физ. наук, Vol: 184, No: 2 , published: 01 February 2014
Квантово-химические исследования пиримидин-4-онов Сообщение 3.* 2-Оксо(тиоксо, селеноксо)пиримидин-4-оны и 5,6-диметил-2-оксо(тиоксо)тиено[2,3-d]пиримидин-4-оны
М. Х. Мамарахмонов, Л. И. Беленький, Н. Д. Чувылкин, М. А. Аширматов, Х. М. Шахидоятов
Изв. РАН. Сер. хим., Vol: 2014, No: 2 , published: 01 February 2014
Dual-kinetic-balance approach to the Dirac equation for axially symmetric systems: Application to static and time-dependent fields
E. B. Rozenbaum, D. A. Glazov, V. M. Shabaev, K. E. Sosnova, and D. A. Telnov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 29 January 2014
Weak-field asymptotic theory of tunneling ionization in many-electron atomic and molecular systems
Oleg I. Tolstikhin, Lars Bojer Madsen, and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 27 January 2014
Global solutions of Hartree-Fock theory and their consequences for strongly correlated quantum systems
Srikant Veeraraghavan and David A. Mazziotti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 27 January 2014
Cavity-assisted dynamical spin-orbit coupling in cold atoms
Lin Dong, Lu Zhou, Biao Wu, B. Ramachandhran, and Han Pu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 24 January 2014
Approaches for theoretical and experimental determinations of K-shell decay rates and fluorescence yields in Ge
J. M. Sampaio, T. I. Madeira, J. P. Marques, F. Parente, A. M. Costa, P. Indelicato, J. P. Santos, M.-C. Lépy, and Y. Ménesguen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 23 January 2014
van der Waals interactions between nanostructures: Some analytic results from series expansions
T. Stedman, D. Drosdoff, and L. M. Woods
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 16 January 2014
Correlated expansions of n1S and n3S states for two-electron atoms in exponential cosine screened potentials
L. U. Ancarani and K. V. Rodriguez
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 15 January 2014
Electric-field-induced magnetic quadrupole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
Radosław Szmytkowski and Patrycja Stefańska
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 06 January 2014
Nuclear-spin-dependent parity nonconservation in s-d5/2 and s-d3/2 transitions
B. M. Roberts, V. A. Dzuba, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 1 , published: 06 January 2014
Polarization correlations in the elastic Rayleigh scattering of photons by hydrogenlike ions
A. Surzhykov, V. A. Yerokhin, T. Jahrsetz, P. Amaro, Th. Stöhlker, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 6 , published: 31 December 2013
Light sea fermions in electron-proton and muon-proton interactions
U. D. Jentschura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 6 , published: 30 December 2013
Method for evaluating chemical shifts of x-ray emission lines in molecules and solids
Yuriy V. Lomachuk and Anatoly V. Titov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 6 , published: 16 December 2013
Unified treatment and measurement of the spectral resolution and temporal effects in frequency-resolved sum-frequency generation vibrational spectroscopy (SFG-VS)
Luis Velarde, Hong-Fei Wang
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
Excited state dynamics of β-carotene studied by means of transient absorption spectroscopy and multivariate curve resolution alternating least-squares analysis
Silvije Vdović, Yingying Wang, Boxuan Li, Meng Qiu, Xuefei Wang, Qianjin Guo, Andong Xia
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
Evaluating push–pull dye efficiency using TD-DFT and charge transfer indices
Gregorio García, Carlo Adamo, Ilaria Ciofini
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
The pressure dependence of the solid state structure of biphenyl from DFT calculations
Oliver Potzel, Gerhard Taubmann
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
Orientational relaxation in semiflexible dendrimers
Amit Kumar, Parbati Biswas
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields
Myung Won Lee, Markus Meuwly
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
Electron-correlation trends in the hyperfine A and B constants of the Na isoelectronic sequence
Narendra Nath Dutta and Sonjoy Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 6 , published: 10 December 2013
К вопросу об интерпретации квантовой физики
А.А. Гриб
Успехи физ. наук, Vol: 183, No: 12 , published: 01 December 2013
Theory of radiative electron attachment to molecules: Benchmark study of CN
Nicolas Douguet, Samantha Fonseca dos Santos, Maurice Raoult, Olivier Dulieu, Ann E. Orel, and Viatcheslav Kokoouline
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 5 , published: 25 November 2013
Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes
Rémi Maurice, Coen de Graaf,  Nathalie Guihéry
Phys. Chem. Chem. Phys., Vol: 15, No: 43 , published: 21 November 2013
Tune-out wavelengths for metastable helium
J. Mitroy and Li-Yan Tang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 5 , published: 20 November 2013
Enhanced effects of temporal variation of the fundamental constants in 2Π1/2-term diatomic molecules: 207Pb19F
V. V. Flambaum, Y. V. Stadnik, M. G. Kozlov, and A. N. Petrov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 5 , published: 20 November 2013
Time-dependent renormalized natural orbital theory applied to the two-electron spin-singlet case: Ground state, linear response, and autoionization
M. Brics and D. Bauer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 5 , published: 19 November 2013
Development of a relativistic coupled-cluster method for one-electron detachment theory: Application to Mn ix, Fe x, Co xi, and Ni xii ions
D. K. Nandy and B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 5 , published: 15 November 2013
Ab initio non-adiabatic molecular dynamics
Enrico Tapavicza, Gregory D. Bellchambers, Jordan C. Vincent and Filipp Furche
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
Coinage metal exciplexes with helium atoms: a theoretical study of M*(2L)Hen (M = Cu, Ag, Au; L = P,D)
Fausto Cargnoni, Alessandro Ponti and Massimo Mella
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
Recombination-amplitude calculations of noble gases, in both length and acceleration forms, beyond the strong-field approximation
Siddharth Bhardwaj, Sang-Kil Son, Kyung-Han Hong, Chien-Jen Lai, Franz X. Kärtner, and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 5 , published: 04 November 2013
Time-resolved determination of ortho-positronium kinetic energy utilizing p-wave scattering during positronium-xenon collisions
Kengo Shibuya, Yoshihiro Kawamura, and Haruo Saito
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 29 October 2013
All-order calculations of the spectra of Ba ii, Ra ii, Fr i, and superheavy elements E119 i and E120 ii
V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 28 October 2013
Two-photon decay of inner-shell vacancies in heavy atoms
A. Surzhykov, R. H. Pratt, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 23 October 2013
Excited-state energies and fine structure of highly charged lithiumlike ions
Jin-ying Li, Da-jun Ding, and Zhi-wen Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 22 October 2013
The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
E. J. Baerends, O. V. Gritsenko, R. van Meer
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
Why spin contamination is a major problem in the calculation of spin–spin coupling in triplet biradicals
Patrick Jost,  Christoph van Wüllen
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
Computational study of molecular properties with dual basis sets
T. S. Chwee, G. S. Lim, W. Y. Fan,  M. B. Sullivan
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
Double-core-polarization contribution to atomic parity-nonconservation and electric-dipole-moment calculations
B. M. Roberts, V. A. Dzuba, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 16 October 2013
Higher ionization energies of atoms in density-functional theory
Uri Argaman, Guy Makov, and Eli Kraisler
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 09 October 2013
Binding energies and geometry of the 24Mg-He2 and 40Ca-He2 triatomic systems
Min-min Liu, Hui-li Han, Cheng-bin Li, and Si-hong Gu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 09 October 2013
Quantum and classical features of the photoionization spectrum of C60
A. V. Verkhovtsev, A. V. Korol, and A. V. Solov'yov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 07 October 2013
Reactivity of Dicoordinated Stannylones (Sn0) versus Stannylenes (SnII): An Investigation Using DFT-Based Reactivity Indices
Lies Broeckaert, Gernot Frenking, Paul Geerlings, Frank De Proft
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Computational Study of the One- and Two-Dimensional Infrared Spectra of a Proton-Transfer Mode in a Hydrogen-Bonded Complex Dissolved in a Polar Nanocluster
Chia Shen Sow, Joseph Tomkins, Gabriel Hanna
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Level Anti-Crossings are a Key Factor for Understanding para-Hydrogen-Induced Hyperpolarization in SABRE Experiments
Andrey N. Pravdivtsev, Alexandra V. Yurkovskaya, Hans-Martin Vieth, Konstantin L. Ivanov, Robert Kaptein
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Hybrid surface-flux method for extraction of the ionization amplitude from the calculated wave function
Vladislav V. Serov, Vladimir L. Derbov, Tatyana A. Sergeeva, and Sergue I. Vinitsky
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 4 , published: 03 October 2013
Procedure for the analysis of interfragment donor-acceptor interactions in transition metal complexes
O. V. Sizova
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Ab initio calculations of the 2p3/2-2p1/2 fine-structure splitting in boronlike ions
A. N. Artemyev, V. M. Shabaev, I. I. Tupitsyn, G. Plunien, A. Surzhykov, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 30 September 2013
Ab initio calculations of the 2p3/2-2p1/2 fine-structure splitting in boronlike ions
A. N. Artemyev, V. M. Shabaev, I. I. Tupitsyn, G. Plunien, A. Surzhykov, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 30 September 2013
Contribution of the deuteron quadrupole moment to the hyperfine structure of D2+
Pei-Pei Zhang, Zhen-Xiang Zhong, and Zong-Chao Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 30 September 2013
Current densities in density-functional theory
Elliott H. Lieb and Robert Schrader
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 26 September 2013
Non-Born-Oppenheimer method for direct variational calculations of diatomic first excited rotational states using explicitly correlated all-particle Gaussian functions
Keeper L. Sharkey, Nikita Kirnosov, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 20 September 2013
Electron electric-dipole-moment interaction constant for HfF+ from relativistic correlated all-electron theory
Timo Fleig and Malaya K. Nayak
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 20 September 2013
Production and trapping of cold circular Rydberg atoms
D. A. Anderson, A. Schwarzkopf, R. E. Sapiro, and G. Raithel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 16 September 2013
Prospects of building optical atomic clocks using Er i or Er iii
A. Kozlov, V. A. Dzuba, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 16 September 2013
Manipulating spin hyper-polarization by means of adiabatic switching of a spin-locking RF-field
Alexey S. Kiryutin, Konstantin L. Ivanov, Alexandra V. Yurkovskaya, Hans-Martin Vieth, Nikita N. Lukzen
Phys. Chem. Chem. Phys., Vol: 15, No: 34 , published: 14 September 2013
Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies
Rustam Z. Khaliullin, Thomas D. Kühne
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Positron-attachment to nonpolar or small dipole CXY (X, Y = O, S, and Se) molecules: vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach
Katsuhiko Koyanagi, Yu Takeda, Takayuki Oyamada, Yukiumi Kita, Masanori Tachikawa
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method
Kenichiro Saita, Michael G. D. Nix, Dmitrii V. Shalashilin
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Vibrationally and rotationally nonadiabatic calculations on H3+ using coordinate-dependent vibrational and rotational masses
Leonardo G. Diniz, José Rachid Mohallem, Alexander Alijah, Michele Pavanello, Ludwik Adamowicz, Oleg L. Polyansky, and Jonathan Tennyson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 12 September 2013
Effects of molecular potential and geometry on atomic core-level photoemission over an extended energy range: The case study of the CO molecule
E. Kukk, D. Ayuso, T. D. Thomas, P. Decleva, M. Patanen, L. Argenti, E. Plésiat, A. Palacios, K. Kooser, O. Travnikova, S. Mondal, M. Kimura, K. Sakai, C. Miron, F. Martín, and K. Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 10 September 2013
Zero-range-potential model for strong-field molecular processes: Dynamic polarizability and photodetachment cross section
S. V. Borzunov, M. V. Frolov, M. Yu. Ivanov, N. L. Manakov, S. S. Marmo, and Anthony F. Starace
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 09 September 2013
Zero-range-potential model for strong-field molecular processes: Dynamic polarizability and photodetachment cross section
S. V. Borzunov, M. V. Frolov, M. Yu. Ivanov, N. L. Manakov, S. S. Marmo, and Anthony F. Starace
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 09 September 2013
A new theoretical method for calculating the radiative association cross section of a triatomic molecule: application to N2–H
T. Stoecklin, F. Lique and M. Hochlaf
Phys. Chem. Chem. Phys., Vol: 15, No: 33 , published: 07 September 2013
Transformation of a design peptide between the α-helix and β-hairpin structures using a helix-strand replica-exchange molecular dynamics simulation
Hisashi Okumura and Satoru G. Itoh
Phys. Chem. Chem. Phys., Vol: 15, No: 33 , published: 07 September 2013
Power-broadening-free correlation spectroscopy in cold atoms
H. M. Florez, L. S. Cruz, M. H. G. de Miranda, R. A. de Oliveira, J. W. R. Tabosa, M. Martinelli, and D. Felinto
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 05 September 2013
Dipole transitions in the bound rotational-vibrational spectrum of the heteronuclear molecular ion HD+
Horacio Olivares Pilón and Daniel Baye
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 04 September 2013
Progress in quantum electrodynamics theory of highly charged ions
Andrey V. Volotka, Dmitry A. Glazov, Günter Plunien, Vladimir M. Shabaev
Annalen der Physik , Vol: 525, No: 8-9 , published: 01 September 2013
Relativistic study of nuclear-anapole-moment effects in diatomic molecules
A. Borschevsky, M. Iliaš, V. A. Dzuba, V. V. Flambaum, and P. Schwerdtfeger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 28 August 2013
Alternative separation of exchange and correlation energies in range-separated density-functional perturbation theory
Yann Cornaton, Alexandrina Stoyanova, Hans Jørgen Aa. Jensen, and Emmanuel Fromager
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 27 August 2013
Action formalism of time-dependent density-functional theory
Martín A. Mosquera
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 26 August 2013
Spin operator in the Dirac theory
Paweł Caban, Jakub Rembieliński, and Marta Włodarczyk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 22 August 2013
Analytic density functionals with initial-state dependence and memory
M. Ruggenthaler, S. E. B. Nielsen, and R. van Leeuwen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 21 August 2013
A correlated ab initio quantum chemical study of the interaction of the Na+, Mg2+, Ca2+ and Zn2+ ions with the tautomers of cytosine in the presence of polar solvent
Ivan V. Rostov and Rika Kobayashi
Phys. Chem. Chem. Phys., Vol: 15, No: 31 , published: 21 August 2013
Quasipinning and entanglement in the lithium isoelectronic series
Carlos L. Benavides-Riveros, José M. Gracia-Bondía, and Michael Springborg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 19 August 2013
Stark effect in neutral hydrogen by direct integration of the Hamiltonian in parabolic coordinates
L. Fernández-Menchero and H. P. Summers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 19 August 2013
Efficient approach to two-center exponential integrals with applications to excited states of molecular hydrogen
Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 19 August 2013
Atoms versus photons as carriers of quantum states
Smail Bougouffa and Zbigniew Ficek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 14 August 2013
Molecular Hubbard Hamiltonian: Field regimes and molecular species
M. L. Wall, Erman Bekaroglu, and Lincoln D. Carr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 12 August 2013
Hamiltonian composite dynamics can almost always lead to negative reduced dynamics
James M. McCracken
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 05 August 2013
Quantum-defect theory for −1/r4-type interactions
Bo Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 02 August 2013
Electrically dressed ultra-long-range polar Rydberg molecules
Markus Kurz and Peter Schmelcher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 01 August 2013
Prospects for ultracold polar and magnetic chromium–closed-shell-atom molecules
Michał Tomza
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 25 July 2013
Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Theory
Anthony D. Dutoi, Kirill Gokhberg, and Lorenz S. Cederbaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 24 July 2013
Long-range coupling of X 1Σ+ and a 3Σ+ states of the atom pair K+Cs
R. Ferber, O. Nikolayeva, M. Tamanis, H. Knöckel, and E. Tiemann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 23 July 2013
Method for measuring the 6S1/2↔5D3/2 magnetic-dipole-transition moment in Ba+
Spencer R. Williams, Anupriya Jayakumar, Matthew R. Hoffman, Boris B. Blinov, and E. N. Fortson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 22 July 2013
Theoretical investigation of magnetic-field-induced 2p53s 3P0,2 – 2p6 1S0 transitions in Ne-like ions without nuclear spin
Jiguang Li, Jon Grumer, Wenxian Li, Martin Andersson, Tomas Brage, Roger Hutton, Per Jönsson, Yang Yang, and Yaming Zou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 22 July 2013
Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approach
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, Michele Visciarelli
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Model operator approach to the Lamb shift calculations in relativistic many-electron atoms
V. M. Shabaev, I. I. Tupitsyn, and V. A. Yerokhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 16 July 2013
Parity nonconservation in Fr-like actinide and Cs-like rare-earth-metal ions
B. M. Roberts, V. A. Dzuba, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 15 July 2013
Spin conversion and pick-off annihilation of ortho-positronium in gaseous xenon at elevated temperatures
Kengo Shibuya, Takashi Nakayama, Haruo Saito, and Toshio Hyodo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 15 July 2013
Atomic magnetic resonance induced by amplitude-, frequency-, or polarization-modulated light
Z. D. Grujić and A. Weis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 12 July 2013
Atomic ground states in strong magnetic fields: Electron configurations and energy levels
Christoph Schimeczek, Sebastian Boblest, Dirk Meyer, and Günter Wunner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 12 July 2013
Hylleraas-configuration-interaction analysis of the low-lying states in the three-electron Li atom and Be+ ion
María Belén Ruiz, Johannes T. Margraf, and Alexei M. Frolov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 11 July 2013
Ground-state OH molecule in combined electric and magnetic fields: Analytic solution of the effective Hamiltonian
M. Bhattacharya, Z. Howard, and M. Kleinert
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 08 July 2013
Intramolecular energy transfer, entanglement, and decoherence in molecular systems
Liangjun Zhai (翟良君) and Yujun Zheng (郑雨军)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 08 July 2013
Molecular spectroscopy and dynamics: a polyad-based perspective
Michel Herman and David S. Perry
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
New insights into the semiclassical Wigner treatment of photodissociation dynamics
W. Arbelo-González, L. Bonnet and A. García-Vela
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
A touch of lavender: gas-phase structure and dynamics of the monoterpene linalool validated by microwave spectroscopy
Ha Vinh Lam Nguyen, Halima Mouhib, Sebastian Klahm, Wolfgang Stahl and Isabelle Kleiner
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Photophysical properties of NIR-emitting fluorescence probes: insights from TD-DFT
Éric Brémond, Marta E. Alberto, Nino Russo, Gino Ricci, Ilaria Ciofini and Carlo Adamo
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation
Ian H. Godtliebsen and Ove Christiansen
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
First principles intensity calculations of the methane rovibrational spectra in the infrared up to 9300 cm−1
Michaël Rey, Andrei V. Nikitin and Vladimir G. Tyuterev
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl–He complex
Yosra Ajili, Kamel Hammami, Nejm Eddine Jaidane, Mathieu Lanza, Yulia N. Kalugina, François Lique and Majdi Hochlaf
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
High resolution spectroscopy and the first global analysis of the Tetradecad region of methane 12CH4
A. V. Nikitin, V. Boudon, Ch. Wenger, S. Albert, L. R. Brown, S. Bauerecker and M. Quack
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Solvent states and spectroscopy of doped helium clusters as a quantum-chemistry-like problem
Néstor F. Aguirre, Pablo Villarreal, Gerardo Delgado-Barrio, Alexander O. Mitrushchenkov and María Pilar de Lara-Castells
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Generation of full dimensional potential energy surfaces for atmospherically important charge transfer tetratomic complexes: the case of the OMgOO+ radical cation
O. Yazidi and M. Hochlaf
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Unraveling the internal dynamics of the benzene dimer: a combined theoretical and microwave spectroscopy study
Melanie Schnell, Undine Erlekam, P. R. Bunker, Gert von Helden, Jens-Uwe Grabow, Gerard Meijer and Ad van der Avoird
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris–Foulkes method
Patrick Meier, Greg Bellchambers, Julian Klepp, Frederick R. Manby and Guntram Rauhut
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Effects of hydrogen dissociation on the infrared emission spectra of naphthalene: theoretical modeling
Cyril Falvo, Hela Friha, Thomas Pino, Zoubeida Dhaouadi, Pascal Parneix, Florent Calvo and Philippe Bréchignac
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Theoretical spectroscopy using molecular dynamics: theory and application to CH5+ and its isotopologues
Sergei D. Ivanov, Alexander Witt and Dominik Marx
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Loss and gain signals in broadband stimulated-Raman spectra: Theoretical analysis
Upendra Harbola, Siva Umapathy, and Shaul Mukamel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 02 July 2013
Quantum phase transition in a three-level atom-molecule system
Sheng-Chang Li, Li-Bin Fu, and Fu-Li Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 01 July 2013
Комбинированный метод расчета слабых обменных взаимодействий в бирадикалах
С. Я. Уманский, Е. Н. Голубева, Б. Н. Плахутин
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
Ядерная спиновая конверсия в двухатомных молекулах
Ильичев Л.В., Шалагин А.М.
Ж. эксперим. и теор. физ., Vol: 144, No: 1 , published: 01 July 2013
Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications
Tapta Kanchan Roy, R. Benny Gerber
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
A differential equation for the Generalized Born radii
Federico Fogolari, Alessandra Corazza, Gennaro Esposito
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Cooperative spin-crossover-like transitions in the inhomogeneous chain of exchange clusters
Vitaliy A. Morozov
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Calculated photoexcitation spectra of positronium Rydberg states
S. D. Hogan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 25 June 2013
Electronic flux densities in vibrating H2+ in terms of vibronic eigenstates
Jhon Fredy Pérez-Torres
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 24 June 2013
Metastable states of D2 observed by foil-induced Coulomb explosion imaging
P. Herwig, D. Schwalm, M. Čížek, R. Golser, M. Grieser, O. Heber, R. Repnow, A. Wolf, and H. Kreckel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 24 June 2013
An extrapolation method for the efficient calculation of molecular response properties within Born–Oppenheimer molecular dynamics
Denis Flaig and Christian Ochsenfeld
Phys. Chem. Chem. Phys., Vol: 15, No: 23 , published: 21 June 2013
Relativistic many-body calculation of energies, oscillator strengths, transition rates, lifetimes, polarizabilities, and quadrupole moment of a Fr-like Th iv ion
M. S. Safronova and U. I. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 20 June 2013
Application of the fully correlated basis of exponential functions for molecular hydrogen
Krzysztof Pachucki and Vladimir A. Yerokhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 20 June 2013
Electric dipole polarizabilities of doubly ionized alkaline-earth-metal ions from perturbed relativistic coupled-cluster theory
S. Chattopadhyay, B. K. Mani, and D. Angom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 12 June 2013
Resonant coherent excitation of the lithiumlike uranium ion: A scheme for heavy-ion spectroscopy
Y. Nakano, Y. Takano, T. Ikeda, Y. Kanai, S. Suda, T. Azuma, H. Bräuning, A. Bräuning-Demian, D. Dauvergne, Th. Stöhlker, and Y. Yamazaki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 07 June 2013
Cu 4s → 4p atomic like excitations in the Ne matrix
Yasuyo Hatano, Hiroshi Tatewaki, Shigeyoshi Yamamoto
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Quantitative rescattering theory of high-order harmonic generation for polyatomic molecules
Anh-Thu Le, R. R. Lucchese, and C. D. Lin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 07 June 2013
Single-molecule assays for investigating protein misfolding and aggregation
Armin Hoffmann, Krishna Neupane, Michael T. Woodside
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes
Andrew J. Atkins, Matthias Bauer, Christoph R. Jacob
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Strong-pump strong-probe spectroscopy: effects of higher excited electronic states
Maxim F. Gelin, Dassia Egorova, Wolfgang Domcke
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
On the role of electron–nucleus contact and microwave saturation in thermal mixing DNP
Sonia Colombo Serra, Alberto Rosso, Fabio Tedoldi
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Transition energies of the D lines in Na-like ions
J. D. Gillaspy, D. Osin, Yu. Ralchenko, J. Reader, and S. A. Blundell
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 05 June 2013
Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle
Ewa Pastorczak, Nikitas I. Gidopoulos, and Katarzyna Pernal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 6 , published: 04 June 2013
Interaction Modes and Absolute Affinities of α-Amino Acids for Mn2+: A Comprehensive Picture
M. Hassan Khodabandeh, Hamid Reisi, Mehdi D. Davari, Karim Zare, Mansour Zahedi, Gilles Ohanessian
ChemPhysChem., Vol: 14, No: 8 , published: 03 June 2013
Analyzing the Vibrational Signatures of Thiophenol Adsorbed on Small Gold Clusters by DFT Calculations
Conrard Giresse Tetsassi Feugmo, Vincent Liégeois
ChemPhysChem., Vol: 14, No: 8 , published: 03 June 2013
Collisional-radiative recombination of Ar+ ions with electrons in ambient helium at temperatures from 50 K to 100 K
Petr Dohnal, Peter Rubovič, Tomáš Kotrík, Michal Hejduk, Radek Plašil, Rainer Johnsen, and Juraj Glosík
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 29 May 2013
Theoretical investigation of the lithium 2p←2s photoabsorption spectra perturbed by atomic hydrogen
N. Lamoudi, M. Bouledroua, K. Alioua, A.-R. Allouche, and M. Aubert-Frécon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 28 May 2013
Smooth scaling of valence electronic properties in fullerenes: From one carbon atom, to C60, to graphene
Greyson R. Lewis, William E. Bunting, Rajendra R. Zope, Brett I. Dunlap, and James C. Ellenbogen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 28 May 2013
Time-dependent density-functional theory with optimized effective potential and self-interaction correction and derivative discontinuity for the treatment of double ionization of He and Be atoms in intense laser fields
John Heslar, Dmitry A. Telnov, and Shih-I Chu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 22 May 2013
First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin–orbit coupled configuration interaction approaches
Dimitrios Maganas, Michael Roemelt, Michael Hävecker, Annette Trunschke, Axel Knop-Gericke, Robert Schlögl, Frank Neese
Phys. Chem. Chem. Phys., Vol: 15, No: 19 , published: 21 May 2013
Adiabatic quantum computation with Rydberg-dressed atoms
Tyler Keating, Krittika Goyal, Yuan-Yu Jau, Grant W. Biedermann, Andrew J. Landahl, and Ivan H. Deutsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 17 May 2013
Bound-state field-theory approach to proton-structure effects in muonic hydrogen
Peter J. Mohr, J. Griffith, and J. Sapirstein
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 17 May 2013
Resonance strength for KLL dielectronic recombination of hydrogenlike krypton
Zhimin Hu, Yueming Li, and Nobuyuki Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 16 May 2013
Shape resonances in the electron-hydrogen system with screened Coulomb potentials
L. G. Jiao and Y. K. Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 15 May 2013
Causality, universality, and effective field theory for van der Waals interactions
Serdar Elhatisari, Sebastian König, Dean Lee, and H.-W. Hammer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 15 May 2013
Specific many-electron effects in X-ray spectra of simple metals and graphene
R. E. Ovcharenko, I. I. Tupitsyn, E. P. Savinov, E. N. Voloshina, B. Paulus, Yu. S. Dedkov, A. S. Shulakov
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Modeling environment effects on spectroscopies through QM/classical models
Benedetta Mennucci
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Rotational spectroscopy meets theory
Cristina Puzzarini
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Computing vibrational spectra from ab initio molecular dynamics
Martin Thomas, Martin Brehm, Reinhold Fligg, Peter Vöhringer, Barbara Kirchner
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Understanding multi-quantum NMR through secular approximation
Deepansh Srivastava, R. Venkata SubbaRao, Ramesh Ramachandran
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Determination of the energy spectrum of a three-body Coulomb system with relativistic corrections
M. Dineykhan, S. A. Zhaugasheva, and A. K. Bekbaev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 13 May 2013
Hyperfine-induced effects on the linear polarization of Kα1 emission from heliumlike ions
Andrey Surzhykov, Yuri Litvinov, Thomas Stöhlker, and Stephan Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 13 May 2013
Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory
Basile F. E. Curchod, Ursula Rothlisberger, Ivano Tavernelli
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Theoretical Methods for Ultrafast Spectroscopy
Roberto Marquardt
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Simulating Pump–Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory
Umberto De Giovannini, Gustavo Brunetto, Alberto Castro, Jessica Walkenhorst, Angel Rubio
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Two-Pulse Control of Large-Amplitude Vibrations in H2+
Bo Y. Chang, Seokmin Shin, Alicia Palacios, Fernando Martín, Ignacio R. Sola
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Theoretical Study of the Inversion Motion of the Ammonia Cation with Subfemtosecond Resolution for High-Harmonic Spectroscopy
Johann Förster, Alejandro Saenz
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Angle-Resolved Strong-Field Ionization of Polyatomic Molecules: More than the Orbitals Matters
Oumarou Njoya, Spiridoula Matsika, Thomas Weinacht
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Photodissociation of ClNO in the 2 1A′ State: Computational and Experimental NO Product State Distributions
Kiera M. Jones, Jadwiga A. Milkiewicz, Benjamin J. Whitaker, Alan G. Sage, Graham A. Worth
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Theoretical Shaping of Femtosecond Laser Pulses for Ultrafast Molecular Photo-Dissociation with Control Techniques Based on Time-Dependent Density Functional Theory
Alberto Castro
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential Barrier
Timm Bredtmann, Hirohiko Kono, Jörn Manz, Kosuke Nakamura, Christian Stemmle
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Analysis of hyperspherical adiabatic curves of helium: A classical dynamics study
N. S. Simonović and E. A. Solov'ev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 06 May 2013
The discovery of the Stark effect and its early theoretical explanations
A. J. Kox
Annalen der Physik , Vol: 525, No: 5 , published: 01 May 2013
Идентификация квантовых взаимных корреляций между атомом и светом при рассеянии атома в поле стоячей световой волны
Трубилко А.И.
Письма в ЖЭТФ, Vol: 98, No: 5 , published: 01 May 2013
Dynamic polarizabilities for the low-lying states of Ca+
Yong-Bo Tang, Hao-Xue Qiao, Ting-Yun Shi, and J. Mitroy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 29 April 2013
Bound-state energies of lithium in magnetic fields using Hylleraas basis functions
Yin Tang, Liming Wang, Xuanyu Song, Xiaofeng Wang, Z.-C. Yan, and Haoxue Qiao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 29 April 2013
Electric dipole polarizabilities of alkali-metal ions from perturbed relativistic coupled-cluster theory
S. Chattopadhyay, B. K. Mani, and D. Angom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 29 April 2013
Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA
Tomáš Kubař,  Marcus Elstner
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
Gas-phase structures and thermochemistry of neutral histidine and its conjugated acid and base
Vanessa Riffet, Guy Bouchoux
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
N-quantum calculation of the hydrogen atom with one-photon exchange
O. W. Greenberg and Steve Cowen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 25 April 2013
Bound states of dipolar molecules studied with the Berggren expansion method
K. Fossez, N. Michel, W. Nazarewicz, and M. Płoszajczak
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 25 April 2013
Adiabaticity and diabaticity in strong-field ionization
Antonia Karamatskou, Stefan Pabst, and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 22 April 2013
State-selective Rydberg excitation with femtosecond pulses
M. Kozák, J. Preclíková, D. Fregenal, and J. P. Hansen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 22 April 2013
Single-molecule surface-enhanced Raman spectroscopy: a perspective on the current status
Hae Mi Lee, Seung Min Jin, Hyung Min Kim, Yung Doug Suh
Phys. Chem. Chem. Phys., Vol: 15, No: 15 , published: 21 April 2013
Exchange-assisted tunneling and positron annihilation on inner atomic shells
M. G. Kozlov and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 19 April 2013
Prediction of 2S Rydberg energy levels of 6Li and 7Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions
Sergiy Bubin and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 18 April 2013
Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems
Timur R. Galeev, Benjamin D. Dunnington, J. R. Schmidt, Alexander I. Boldyrev
Phys. Chem. Chem. Phys., Vol: 15, No: 14 , published: 14 April 2013
Topology maps of bond descriptors based on the kinetic energy density and the essence of chemical bonding
Heiko Jacobsen
Phys. Chem. Chem. Phys., Vol: 15, No: 14 , published: 14 April 2013
Extension of the multiconfiguration Hartree-Fock method to allow double photoionization of atoms
Hari P. Saha
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 12 April 2013
Resonance enhanced multiphoton ionization spectroscopy of NHD2via the [B with combining tilde]1E′′-state
Chung-Hsin Yang, Gautam Sarma, Ashim Kumar Saha, David H. Parker, Colin M. Western
Phys. Chem. Chem. Phys., Vol: 15, No: 17 , published: 07 April 2013
Optimizing the Acquisition and Analysis of Confocal Images for Quantitative Single-Mobile-Particle Detection
Ouided Friaa, Melissa Furukawa, Aisha Shamas-Din, Brian Leber, David W. Andrews, Cécile Fradin
ChemPhysChem., Vol: 14, No: 11 , published: 05 April 2013
Spontaneous Emergence of Chirality in the Limited Enantioselectivity Model: Autocatalytic Cycle Driven by an External Reagent
Celia Blanco, Joaquim Crusats, Zoubir El-Hachemi, Albert Moyano, David Hochberg, Josep M. Ribó
ChemPhysChem., Vol: 14, No: 11 , published: 05 April 2013
Quantum computation with rotational states of nonpolar ionic molecules
Sang Jae Yun and Chang Hee Nam
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 04 April 2013
Thallium 7p lifetimes derived from experimental data and ab initio calculations of scalar polarizabilities
M. S. Safronova and P. K. Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 03 April 2013
The interpretation of quantum mechanics: from disagreement to consensus?
Maximilian Schlosshauer, Johannes Kofler, Anton Zeilinger
Annalen der Physik , Vol: 525, No: 4 , published: 01 April 2013
К теории релятивистского движения заряженной частицы в поле мощного электромагнитного излучения
Милантьев В.П., Кастильо А.Х.
Ж. эксперим. и теор. физ., Vol: 143, No: 4 , published: 01 April 2013
Calculation of parity-nonconserving optical rotation in iodine at 1315 nm
G. E. Katsoprinakis, L. Bougas, T. P. Rakitzis, V. A. Dzuba, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 01 April 2013
Ab initio calculation of the electronic and vibrational properties of metal-organic molecules based on cyclic C6 intercalated with some group VIII transition metals
Stanislav L. Kuzmin, Walter W. Duley
Annalen der Physik , Vol: 525, No: 4 , published: 01 April 2013
Theoretical Study on the Mechanism of Dioxygen Evolution in Photosystem II. I. Molecular and Electronic Structures at the S0, S1, and S2 States of Oxygen-Evolving Complex
Tomoya Ichino, Yasunori Yoshioka
Bull. Chem. Soc. Jpn., Vol: 86, No: 4 , published: 01 April 2013
Electron dynamics in the ground state of a laser-generated carbon atom
Hannes Hultgren, Mikael Eklund, Dag Hanstorp, and Igor Yu. Kiyan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 29 March 2013
Approach to form long-range ion-pair molecules in an ultracold Rb gas
Adam Kirrander, Seth Rittenhouse, Marco Ascoli, Edward E. Eyler, Phillip L. Gould, and H. R. Sadeghpour
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 22 March 2013
Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods
Satoshi Maeda, Koichi Ohno, Keiji Morokuma
Phys. Chem. Chem. Phys., Vol: 15, No: 11 , published: 21 March 2013
JOYCE and ULYSSES: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
Vincenzo Barone, Ivo Cacelli, Nicola De Mitri, Daniele Licari, Susanna Monti, Giacomo Prampolini
Phys. Chem. Chem. Phys., Vol: 15, No: 11 , published: 21 March 2013
The fundamental chemical equation of aromaticity
Remi Chauvin, Christine Lepetit
Phys. Chem. Chem. Phys., Vol: 15, No: 11 , published: 21 March 2013
Scaling method for the pair-density-functional theory in combination with energy functionals satisfying the virial theorem: Checking the validity via atomic-structure calculations
Katsuhiko Higuchi and Masahiko Higuchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 20 March 2013
Iterative evaluation of the effect of long-range potentials on the solution of the Schrödinger equation
George Rawitscher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 18 March 2013
Relativistic many-body calculations of excitation energies, oscillator strengths, transition rates, and lifetimes in samariumlike ions
U. I. Safronova, A. S. Safronova, and P. Beiersdorfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 12 March 2013
Testing quantum electrodynamics in the lowest singlet states of the beryllium atom
Mariusz Puchalski, Jacek Komasa, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 11 March 2013
g-factor measurement of hydrogenlike 28Si13+ as a challenge to QED calculations
S. Sturm, A. Wagner, M. Kretzschmar, W. Quint, G. Werth, and K. Blaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 08 March 2013
Quantum interference and multielectron effects in high-harmonic spectra of polar molecules
A. Rupenyan, P. M. Kraus, J. Schneider, and H. J. Wörner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 08 March 2013
Relativistic many-body calculation of energies, lifetimes, polarizabilities, and hyperpolarizabilities in Li-like Be+
U. I. Safronova and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 07 March 2013
D1 and D2 lines in 6Li and 7Li including QED effects
M. Puchalski, D. Kędziera, and K. Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 07 March 2013
Linear polyatomic molecules with Π ground state: Sensitivity to variation of the fundamental constants
M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 07 March 2013
Capturing the elusive aromaticity of bicalicene
W. P. Oziminski, M. Palusiak, J. Dominikowska, T. M. Krygowski, R. W. A. Havenith, C. M. Gibson, P. W. Fowler
Phys. Chem. Chem. Phys., Vol: 15, No: 9 , published: 07 March 2013
Critically evaluated theoretical atomic properties of Y iii
U. I. Safronova and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 05 March 2013
Возбуждение автоионизационных состояний гелиеподобных ионов при рассеянии высокоэнергетических частиц
Михайлов А.И., Михайлов И.А., Нефедов А.В., Плуниен Г.
Ж. эксперим. и теор. физ., Vol: 143, No: 3 , published: 01 March 2013
Флуктуации потерь энергии при столкновениях быстрых ионов конечных размеров с атомами
Макаров Д.Н., Матвеев В.И.
Ж. эксперим. и теор. физ., Vol: 143, No: 3 , published: 01 March 2013
A short walk through quantum optomechanics
Pierre Meystre
Annalen der Physik , Vol: 525, No: 3 , published: 01 March 2013
σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel
Stijn Fias, Paul Geerlings, Paul Ayers, Frank De Proft
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization
Robert W. Góra, Michał Maj, Sławomir J. Grabowski
Phys. Chem. Chem. Phys., Vol: 15, No: 7 , published: 21 February 2013
vuv frequency-comb spectroscopy of atomic xenon
Akira Ozawa and Yohei Kobayashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 19 February 2013
van der Waals coefficients for systems with ultracold polar alkali-metal molecules
P. S. Żuchowski, M. Kosicki, M. Kodrycka, and P. Soldán
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 19 February 2013
Towards an understanding of the vibrational spectrum of the neutral Au7 cluster
Luis A. Mancera, David M. Benoit
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Concept of effective Hamiltonians for transitions in multi-level systems
R. Venkata SubbaRao, Deepansh Srivastava, Ramesh Ramachandran
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Can hydrate form in carbon dioxide from dissolved water?
Bjørn Kvamme, Tatiana Kuznetsova, Pilvi-Helina Kivelæ, Jordan Bauman
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Spectroscopic studies of the (4)1Σ+ state of RbCs and modeling of the optical cycle for ultracold X 1Σ+(v=0,J=0) molecule production
V. Zuters, O. Docenko, M. Tamanis, R. Ferber, V. V. Meshkov, E. A. Pazyuk, and A. V. Stolyarov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 13 February 2013
Observation and analysis of resonant coupling between nearly degenerate levels of the 2 1Σg+ and 1 1Πg states of ultracold 85Rb2
R. Carollo, M. A. Bellos, D. Rahmlow, J. Banerjee, E. E. Eyler, P. L. Gould, and W. C. Stwalley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 13 February 2013
A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution
Kęstutis Aidas, Hans Ågren, Jacob Kongsted, Aatto Laaksonen, Francesca Mocci
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
Theory of the transition from sequential to concerted electrochemical proton–electron transfer
Marc T. M. Koper
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
Nonperturbative evaluation of some QED contributions to the muonic hydrogen n=2 Lamb shift and hyperfine structure
P. Indelicato
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 04 February 2013
Ab initio predictions of atomic properties of element 120 and its lighter group-2 homologues
A. Borschevsky, V. Pershina, E. Eliav, and U. Kaldor
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 04 February 2013
Отрыв электронов от отрицательных ионов водорода и лития ультракоротким лазерным импульсом
Головинский П.А., Дробышев А.А.
Ж. техн. физ., Vol: 83, No: 2 , published: 01 February 2013
Resonant few-photon excitation of a single-ion oscillator
Y.-W. Lin, S. Williams, and B. C. Odom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 31 January 2013
Relations between harmonic frequencies of diatomic molecules
Shilin Hou
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Ab initio study of the circular intensity difference in electric-field-induced second harmonic generation of chiral natural amino acids
Antonio Rizzo, Hans Ågren
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
General treatment of the multimode Jahn–Teller effect: study of fullerene cations
Harry Ramanantoanina, Matija Zlatar, Pablo García-Fernández, Claude Daul, Maja Gruden-Pavlović
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Quantum effects in the abstraction reaction by H atoms of primary and secondary hydrogens in n-C4H10: a test of a new potential energy surface construction method
Xiao Shan, David C. Clary
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Static-field-induced states
Artem V. Gets and Oleg I. Tolstikhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 22 January 2013
Body-assisted dispersion potentials of diamagnetic atoms
Stefan Yoshi Buhmann, Hassan Safari, Stefan Scheel, and A. Salam
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 15 January 2013
Analytical matrix elements of the Uehling potential in three-body systems and applications to exotic molecules
Jean-Philippe Karr and Laurent Hilico
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 14 January 2013
Computational complexity in electronic structure
James Daniel Whitfield, Peter John Love, Alán Aspuru-Guzik
Phys. Chem. Chem. Phys., Vol: 15, No: 2 , published: 14 January 2013
Confinement approach to pressure effects on the dipole and the generalized oscillator strength of atomic hydrogen
R. Cabrera-Trujillo and S. A. Cruz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 09 January 2013
Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applications
Xingping Liu, Changhao Wang, Jun Wang, Zhilin Li, Hongkai Zhao, Ray Luo
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Theoretical aspects of dynamic nuclear polarization in the solid state – spin temperature and thermal mixing
Yonatan Hovav, Akiva Feintuch, Shimon Vega
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit
Marius Retegan, Marie-Noëlle Collomb, Frank Neese, Carole Duboc
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Hybrid density functional–molecular mechanics calculations for core-electron binding energies of glycine in water solution
Johannes Niskanen, N. Arul Murugan, Zilvinas Rinkevicius, Olav Vahtras, Cui Li, Susanna Monti, Vincenzo Carravetta, Hans Ågren
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Pyrazine excited states revisited using the extended multi-state complete active space second-order perturbation method
Toru Shiozaki, Clemens Woywod, Hans-Joachim Werner
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips
Franziska Bell, Paul M. Zimmerman, David Casanova, Matthew Goldey, Martin Head-Gordon  
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Ab initio calculations of transition amplitudes and hyperfine A and B constants of Ga iii
Narendra Nath Dutta, Sourav Roy, Gopal Dixit, and Sonjoy Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 02 January 2013
Ab  initio calculations of the spectral shapes of CO2 isolated lines including non-Voigt effects and comparisons with experiments
J.-M. Hartmann, H. Tran, N. H. Ngo, X. Landsheere, P. Chelin, Y. Lu, A.-W. Liu, S.-M. Hu, L. Gianfrani, G. Casa, A. Castrillo, M. Lepère, Q. Delière, M. Dhyne, and L. Fissiaux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 02 January 2013
Теория многофотонной и туннельной ионизации в бихроматическом поле
Багулов Д.С., Котельников И.А.
Ж. эксперим. и теор. физ., Vol: 143, No: 1 , published: 01 January 2013
The Role of the Non-Zero Initial Momentum and Modified Ionization Potential in the Corrected Ammosov-Delone-Krainov Theory
M.M. Radulović, J.M. Stevanović, T.B. Miladinović, V.M. Ristić
Rom. J. Phys., Vol: 58, No: 1-2 , published: 01 January 2013
The Generalized Energy-Based Fragmentation Approach with an Improved Fragmentation Scheme: Benchmark Results and Illustrative Applications
Shugui Hua, Wei Li, Shuhua Li
ChemPhysChem., Vol: 14, No: 1 , published: 01 January 2013
Anion–π Interactions Involving [MXn]m Anions: A Comprehensive Theoretical Study
Carolina Estarellas, David Quiñonero, Pere M. Deyà, Antonio Frontera
ChemPhysChem., Vol: 14, No: 1 , published: 01 January 2013
Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules
T. A. Isaev and R. Berger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 27 December 2012
Dynamic dipole polarizability of the helium atom with Debye-Hückel potentials
Sabyasachi Kar
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 27 December 2012
Hyperspherical explicitly correlated Gaussian approach for few-body systems with finite angular momentum
D. Rakshit and D. Blume
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 26 December 2012
Exact nonrelativistic polarizabilities of the hydrogen atom with the Lagrange-mesh method
Daniel Baye
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 26 December 2012
Calculation of the parity-violating 5s-6s E1 amplitude in the rubidium atom
V. A. Dzuba, V. V. Flambaum, and B. Roberts
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 21 December 2012
Are single C60 fullerenes dielectric or metallic?
Henning Zettergren, Björn O. Forsberg, Henrik Cederquist
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
Dipole moments of isomeric alkoxyalcohols in cyclohexane. Comparison of Hedestrand and Fröhlich procedures with a new formula
T. P. Iglesias, Ângela F. S. Santos, Fernando J. V. Santos, Maria Luísa C. J. Moita, Isabel M. S. Lampreia,  João Carlos R. Reis
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
On the discrepancy between theory and experiment for the F–F spin–spin coupling constant of difluoroethyne
Rasmus Faber, Stephan P. A. Sauer
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
A new ab initio potential energy surface for the collisional excitation of O2 by H2
Yulia Kalugina, Otoniel Denis Alpizar, Thierry Stoecklin, François Lique
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
Universal three-body recombination via resonant d-wave interactions
Jia Wang, J. P. D’Incao, Yujun Wang, and Chris H. Greene
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 20 December 2012
Modified Rosen-Morse potential-energy model for diatomic molecules
Guang-Dong Zhang, Jian-Yi Liu, Lie-Hui Zhang, Wen Zhou, and Chun-Sheng Jia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 18 December 2012
Perturbed coupled-cluster theory to calculate dipole polarizabilities of closed-shell systems: Application to Ar, Kr, Xe, and Rn
S. Chattopadhyay, B. K. Mani, and D. Angom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 17 December 2012
Universal three-body parameter in ultracold 4He*
S. Knoop, J. S. Borbely, W. Vassen, and S. J. J. M. F. Kokkelmans
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 17 December 2012
Theory of attosecond transient-absorption spectroscopy of krypton for overlapping pump and probe pulses
Stefan Pabst, Arina Sytcheva, Antoine Moulet, Adrian Wirth, Eleftherios Goulielmakis, and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 17 December 2012
Analytic three-channel model for resonance-averaged direct and indirect dissociative recombination processes of molecular ions
I. F. Schneider, N. Pop, and Ch. Jungen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 17 December 2012
Quantum defect theory for the van der Waals plus dipole-dipole interaction
Gao-Ren Wang, Ting Xie, Yin Huang, Wei Zhang, and Shu-Lin Cong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 14 December 2012
Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives
Freija De Vleeschouwer, Weitao Yang, David N. Beratan, Paul Geerlings, Frank De Proft
Phys. Chem. Chem. Phys., Vol: 14, No: 46 , published: 14 December 2012
Sensitivity enhancement and low-field spin relaxation in singlet NMR
Jiri Bocan, Giuseppe Pileio, Malcolm H. Levitt
Phys. Chem. Chem. Phys., Vol: 14, No: 46 , published: 14 December 2012
Electric field gradients in Hg compounds: Molecular orbital (MO) analysis and comparison of 4-component and 2-component (ZORA) methods
Vaida Arcisauskaite, Stefan Knecht, Stephan P. A. Sauer, Lars Hemmingsen
Phys. Chem. Chem. Phys., Vol: 14, No: 46 , published: 14 December 2012
Variational solution of the congruently transformed Hamiltonian for many-electron systems using a full-configuration-interaction calculation
Jennifer M. Elward, Johannes Hoja, and Arindam Chakraborty
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 10 December 2012
A theoretical study of closed polyacene structures
Muammar El Khatib, Stefano Evangelisti, Thierry Leininger, Gian Luigi Bendazzoli
Phys. Chem. Chem. Phys., Vol: 14, No: 45 , published: 05 December 2012
Accurate evaluation of the resonance energies of benzene and pyridine via cyclic reference state
Ilie Fishtik, Stefan Grimme
Phys. Chem. Chem. Phys., Vol: 14, No: 45 , published: 05 December 2012
Experimental and theoretical study of the ground-state M1 transition in Ag-like tungsten
Z. Fei, R. Zhao, Z. Shi, J. Xiao, M. Qiu, J. Grumer, M. Andersson, T. Brage, R. Hutton, and Y. Zou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 03 December 2012
Расчет взаимодействия валентных и деформационных колебаний HF в комплексе с водородной связью [F(HF)2]
В. П. Булычёв, М. В. Бутурлимова, К. Г. Тохадзе
Оптика и спектроскопия, Vol: 113, No: 6 , published: 01 December 2012
Applications of Normal Coordinates of Internal Vibrations to Generate Perturbed Structures: Dynamic Behavior of Weak to Strong Interactions Elucidated by Atoms-in-Molecules Dual Functional Analysis
Waro Nakanishi, Satoko Hayashi, Kohei Matsuiwa, Masayuki Kitamoto
Bull. Chem. Soc. Jpn., Vol: 85, No: 12 , published: 01 December 2012
New Complete Orthonormal Sets of Exponential-Type Orbitals in Standard Convention and Their Origin
Israfil I. Guseinov
Bull. Chem. Soc. Jpn., Vol: 85, No: 12 , published: 01 December 2012
A study of vibrational spectra of metallotetraphenyl porphryins: an algebraic approach
S. Rao Karumuri
Indian J. Phys., Vol: 86, No: 12 , published: 01 December 2012
Asymptotic exchange energies for H2
B. L. Burrows, A. Dalgarno, and M. Cohen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 30 November 2012
Decoherence of quantum kinematical correlations: Elastic scattering of identical particles
M. C. Morais, M. C. Nemes, R. Lichtenthäler, and A. Lépine-Szily
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 30 November 2012
Effects of the electron correlation and Breit and hyperfine interactions on the lifetime of the 2p53s states in neutral neon
Jiguang Li, Per Jönsson, Michel Godefroid, Chenzhong Dong, and Gediminas Gaigalas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 29 November 2012
Time-dependent restricted-active-space configuration-interaction method for the photoionization of many-electron atoms
David Hochstuhl and Michael Bonitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 29 November 2012
Local spins: improved Hilbert-space analysis
Eloy Ramos-Cordoba, Eduard Matito, Pedro Salvador, István Mayer
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Atomic harmonic generation in time-dependent R-matrix theory
A. C. Brown, D. J. Robinson, and H. W. van der Hart
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 28 November 2012
Electronic fluxes during large amplitude vibrations of single, double and triple bonds
Timm Bredtmann, Emanuel Hupf, Beate Paulus
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties
Raphael J. F. Berger, Daniel Rettenwander, Stefan Spirk, Christian Wolf, Michael Patzschke, Martin Ertl, Uwe Monkowius, Norbert W. Mitzel
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Analytical two-center integrals over Slater geminal functions
Michał Lesiuk and Robert Moszynski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 26 November 2012
Calculation of parity nonconservation in xenon and mercury
V. A. Dzuba and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 26 November 2012
Correlated exponential functions in high-precision calculations for diatomic molecules
Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 26 November 2012
Test of the Stark-effect theory using photoionization microscopy
L. B. Zhao, I. I. Fabrikant, M. L. Du, and C. Bordas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 26 November 2012
Is C60 buckminsterfullerene aromatic?
Zhongfang Chen, Judy I. Wu, Clémence Corminboeuf, Jonathan Bohmann, Xin Lu, Andreas Hirsch, Paul von Ragué Schleyer
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Nuclear-spin-dependent parity violation in diatomic molecular ions
A. Borschevsky, M. Iliaš, V. A. Dzuba, K. Beloy, V. V. Flambaum, and P. Schwerdtfeger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 15 November 2012
Ab initio nonadiabatic study of the 3pπD 1 Πu+ state of H2 and D2
M. Glass-Maujean, H. Schmoranzer, Ch. Jungen, I. Haar, A. Knie, P. Reiss, and A. Ehresmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 15 November 2012
Optimal control theory – closing the gap between theory and experiment
Philipp von den Hoff, Sebastian Thallmair, Markus Kowalewski, Robert Siemering, Regina de Vivie-Riedle
Phys. Chem. Chem. Phys., Vol: 14, No: 42 , published: 14 November 2012
Solution of the two-center time-dependent Dirac equation in spherical coordinates: Application of the multipole expansion of the electron-nuclei interaction
S. R. McConnell, A. N. Artemyev, M. Mai, and A. Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 12 November 2012
Dichotomy between tunneling and multiphoton ionization in atomic photoionization: Keldysh parameter γ versus scaled frequency Ω
Turker Topcu and Francis Robicheaux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 09 November 2012
Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study
Xing Gao, Qian Peng, Yingli Niu, Dong Wang, Zhigang Shuai
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Quantum phase analysis of field-free molecular alignment
Sang Jae Yun, Chul Min Kim, Jongmin Lee, and Chang Hee Nam
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 05 November 2012
Theoretical modeling of single-molecule fluorescence with complicated photon statistics
I. S. Osad'ko, A. V. Naumov, I. Yu. Eremchev, Yu. G. Vainer, and L. Kador
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 05 November 2012
Polarizability of screened Coulomb potential
Monika Bassi, K. L. Baluja
Indian J. Phys., Vol: 86, No: 11 , published: 01 November 2012
Роль многочастичных корреляций и куперовского спаривания в процессе образования молекул в ультрахолодном газе Ферми атомов с отрицательной длиной рассеяния
Бабиченко В.С., Каган Ю.М.
Ж. эксперим. и теор. физ., Vol: 142, No: 5 , published: 01 November 2012
The Golden Rule. Application for fun and profit in electron transfer, energy transfer, and excited-state decay
Akitaka Ito, Thomas J. Meyer
Phys. Chem. Chem. Phys., Vol: 14, No: 40 , published: 28 October 2012
Electronic coupling for charge transfer in donor–bridge–acceptor systems. Performance of the two-state FCD model
Alexander A. Voityuk
Phys. Chem. Chem. Phys., Vol: 14, No: 40 , published: 28 October 2012
Vibrational cooling, heating, and instability in molecular conducting junctions: full counting statistics analysis
Lena Simine, Dvira Segal
Phys. Chem. Chem. Phys., Vol: 14, No: 40 , published: 28 October 2012
Vibrationally assisted electron transfer mechanism of olfaction: myth or reality?
Ilia A. Solov'yov, Po-Yao Chang, Klaus Schulten
Phys. Chem. Chem. Phys., Vol: 14, No: 40 , published: 28 October 2012
Geometry determination of complexes in a molecular liquid mixture using electron–vibration–vibration two-dimensional infrared spectroscopy with a vibrational transition density cube method
Rui Guo, Shaul Mukamel, David R. Klug
Phys. Chem. Chem. Phys., Vol: 14, No: 40 , published: 28 October 2012
Self-energy of a bound electron for excited states
J. Zamastil and V. Patkóš
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 26 October 2012
Positron binding to atoms and apolar molecules: A convergence of theory and experiment
Paulo H. R. Amaral and José R. Mohallem
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 25 October 2012
Strong-field approximation for above-threshold ionization of polyatomic molecules
E. Hasović and D. B. Milošević
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 25 October 2012
A phenomenological theory of nonphotochemical laser induced nucleation
Marco Nardone, Victor G. Karpov
Phys. Chem. Chem. Phys., Vol: 14, No: 39 , published: 21 October 2012
Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra
Francisco José Avila Ferrer, Fabrizio Santoro
Phys. Chem. Chem. Phys., Vol: 14, No: 39 , published: 21 October 2012
L-subshell fluorescence yields and Coster-Kronig transition probabilities with a reliable uncertainty budget for selected high- and medium-Z elements
Michael Kolbe, Philipp Hönicke, Matthias Müller, and Burkhard Beckhoff
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 19 October 2012
Relativistic atomic data for Cu-like tungsten
U. I. Safronova, A. S. Safronova, and P. Beiersdorfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 17 October 2012
Binding energies of the lithium isoelectronic sequence approaching the critical charge
Jacob Katriel, Mariusz Puchalski, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 15 October 2012
An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics
Roberto Peverati, Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
The performance of MP2.5 and MP2.X methods for nonequilibrium geometries of molecular complexes
Kevin E. Riley, Jan Řezáč, Pavel Hobza
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
Spectral shifts of the n → π* and π → π* transitions of uracil based on a modified form of solvent reorganization energy
Hai-Sheng Ren, Yun-Kui Li, Quan Zhu, Jun Zhu, Xiang-Yuan Li
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
Adiabatic theory of ionization by intense laser pulses: Finite-range potentials
Oleg I. Tolstikhin and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 11 October 2012
Relativistic configuration-interaction calculation of energy levels of core-excited states in lithiumlike ions: Argon through krypton
V. A. Yerokhin and A. Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 10 October 2012
Time-dependent analytical R-matrix approach for strong-field dynamics. I. One-electron systems
Lisa Torlina and Olga Smirnova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 05 October 2012
Time-dependent analytical R-matrix approach for strong-field dynamics. II. Many-electron systems
Lisa Torlina, Misha Ivanov, Zachary B. Walters, and Olga Smirnova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 05 October 2012
Bethe logarithm for the H2+ and HD+ molecular ions
Vladimir I. Korobov and Zhen-Xiang Zhong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 04 October 2012
Laser spectroscopy of radioactive isotopes: Role and limitations of accurate isotope-shift calculations
B. Cheal, T. E. Cocolios, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 01 October 2012
Плазмонно-фононный механизм безызлучательного перехода 2S1/2→ 2P1/2 при скользящем рассеянии атома водорода на поверхности твердого тела
Павличенков И.М.
Ж. эксперим. и теор. физ., Vol: 142, No: 4 , published: 01 October 2012
Развитие модели спинкроссовера сжимаемой и неоднородных цепочек обменных кластеров
В. А. Морозов
Изв. РАН. Сер. хим., Vol: 2012, No: 10 , published: 01 October 2012
Квантово-химическое моделирование замещения лигандов в плоскоквадратных аквахлоридных комплексах палладия
В. В. Егорова, А. В. Крылов, В. Р. Флид, Н. И. Тигина
Изв. РАН. Сер. хим., Vol: 2012, No: 10 , published: 01 October 2012
Внутримолекулярное перераспределение колебательной энергии: от спектров высокого разрешения к динамике в реальном времени
А.А. Макаров, А.Л. Малиновский, Е.А. Рябов
Успехи физ. наук, Vol: 182, No: 10 , published: 01 October 2012
Theory of Quadrupole Contributions from Interface and Bulk in Second-Order Optical Processes
Kazuya Shiratori, Akihiro Morita
Bull. Chem. Soc. Jpn., Vol: 85, No: 10 , published: 01 October 2012
XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures
Igor Ying Zhang, Xin Xu
Phys. Chem. Chem. Phys., Vol: 14, No: 36 , published: 28 September 2012
Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations
Jimmy Heimdal, Ulf Ryde
Phys. Chem. Chem. Phys., Vol: 14, No: 36 , published: 28 September 2012
Theoretical studies of HIV-1 reverse transcriptase inhibition
Katarzyna Świderek, Sergio Martí, Vicent Moliner
Phys. Chem. Chem. Phys., Vol: 14, No: 36 , published: 28 September 2012
Generalization of homogeneous coordinate scaling in density-functional theory
Lázaro Calderín
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 27 September 2012
Ab initio study of high-lying doubly excited states of helium in static electric fields: Complex-scaling generalized pseudospectral method in hyperspherical coordinates
John Heslar and Shih-I Chu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 21 September 2012
Rapid calculation of protein chemical shifts using bond polarization theory and its application to protein structure refinement
Igor Jakovkin, Marco Klipfel, Claudia Muhle-Goll, Anne S. Ulrich, Burkhard Luy, Ulrich Sternberg
Phys. Chem. Chem. Phys., Vol: 14, No: 35 , published: 21 September 2012
Jahn-Teller effect and driven binary oscillators in PT-symmetric potentials
Jing Wu and Xiao-Tao Xie
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 14 September 2012
Photon collisions with atoms and ions within an intermediate-energy R-matrix framework
M. P. Scott, A. J. Kinnen, and M. W. McIntyre
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 12 September 2012
Weakly bound molecules trapped with discrete scaling symmetries
Yusuke Nishida and Dean Lee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 12 September 2012
Electron-impact study of the B2 molecule using the R-matrix method
Jasmeet Singh Rajvanshi and K. L. Baluja
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 07 September 2012
Vibrational energy relaxation of the ND-stretching vibration of NH2D in liquid NH3
Tim Schäfer, Alexander Kandratsenka, Peter Vöhringer, Jörg Schroeder, Dirk Schwarzer
Phys. Chem. Chem. Phys., Vol: 14, No: 33 , published: 07 September 2012
Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in [Ca(urea)]2+ gas phase unimolecular reactivity via chemical dynamics simulations
Riccardo Spezia, Alvaro Cimas, Marie-Pierre Gaigeot, Jean-Yves Salpin, Kihyung Song, William L. Hase
Phys. Chem. Chem. Phys., Vol: 14, No: 33 , published: 07 September 2012
Continuous symmetry measures of irreducible representations: application to molecular orbitals
Pere Alemany, David Casanova, Santiago Álvarez
Phys. Chem. Chem. Phys., Vol: 14, No: 33 , published: 07 September 2012
Комптоновское рассеяние рентгеновского фотона атомом с открытой оболочкой
Хоперский А.Н., Надолинский А.М.
Ж. эксперим. и теор. физ., Vol: 142, No: 3 , published: 01 September 2012
Ab initio studies of electron correlation effects in heavier closed-shell atoms: Structure of the all-electron correlation energies of Zn2+ and Zn
Karol Jankowski and Kirk A. Peterson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 31 August 2012
From ground states to local Hamiltonians
Jianxin Chen, Zhengfeng Ji, Bei Zeng, and D. L. Zhou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 30 August 2012
Structure and calculation of field-induced free-free transition matrix elements in many-electron atoms
Yannis Komninos, Theodoros Mercouris, and Cleanthes A. Nicolaides
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 30 August 2012
Chaos-induced enhancement of resonant multielectron recombination in highly charged ions: Statistical theory
V. A. Dzuba, V. V. Flambaum, G. F. Gribakin, and C. Harabati
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 29 August 2012
Minimal instances for toric code ground states
Nicolai Lang and Hans Peter Büchler
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 28 August 2012
Classical toy models for the monopole shift and the quadrupole shift
Katrin Rose, Stefaan Cottenier
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
Double photoionization of the hydrogen molecule from the viewpoint of the time-delay theory
I. A. Ivanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 28 August 2012
Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory
Roberto Peverati, Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
Computational studies of photophysical properties of porphin, tetraphenylporphyrin and tetrabenzoporphyrin
Rashid R. Valiev, Victor N. Cherepanov, Victor Ya. Artyukhov, Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
Vibrational branching ratios in the photoelectron spectra of N2 and CO: interference and diffraction effects
Etienne Plésiat, Piero Decleva, Fernando Martín
Phys. Chem. Chem. Phys., Vol: 14, No: 31 , published: 21 August 2012
Complexation behavior of trivalent actinides and lanthanides with 1,10-phenanthroline-2,9-dicarboxylic acid based ligands: insight from density functional theory
Debashree Manna, Tapan K. Ghanty
Phys. Chem. Chem. Phys., Vol: 14, No: 31 , published: 21 August 2012
Accurate spin–orbit and spin–other-orbit contributions to the g-tensor for transition metal containing systems
A. Van Yperen-De Deyne, E. Pauwels, V. Van Speybroeck, M. Waroquier
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Bonds or not bonds? Pancake bonding in 1,2,3,5-dithiadiazolyl and 1,2,3,5-diselenadiazolyl radical dimers and their derivatives
Habtamu Z. Beneberu, Yong-Hui Tian, Miklos Kertesz
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Quantum electrodynamic corrections to the g factor of helium P states
M. Puchalski and U. D. Jentschura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 10 August 2012
Coupled-cluster calculations of properties of the boron atom as a monovalent system
H. Gharibnejad and A. Derevianko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 07 August 2012
Ba+ quadrupole polarizabilities: Theory versus experiment
B. K. Sahoo and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 07 August 2012
Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes
Leonardo A. Pachón, Paul Brumer
Phys. Chem. Chem. Phys., Vol: 14, No: 29 , published: 07 August 2012
Correlation effects in Yb+ and implications for parity violation
S. G. Porsev, M. S. Safronova, and M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 06 August 2012
Нулевая энергия и нулевые колебания: как они обнаруживаются экспериментально
Ю.М. Ципенюк
Успехи физ. наук, Vol: 182, No: 8 , published: 01 August 2012
Proton exchange within water molecule
V. K. Konyukhov
Кpатк. сообщ. по физ. ФИAН, Vol: 2012, No: 8 , published: 01 August 2012
Experimental observation and theoretical calculation of the diamagnetic spectrum of sodium Rydberg states
W. Gao, H. F. Yang, H. Cheng, X. J. Liu, and H. P. Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 31 July 2012
Comment on “Weakly bound states of the He-He-Ca triatomic system”
D. David López-Durán, T. González-Lezana, G. Delgado-Barrio, P. Villarreal, and F. A. Gianturco
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 25 July 2012
Reply to ``Comment on `Weakly bound states of the He-He-Ca triatomic system' ''
Qingdong Gou and Yong Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 25 July 2012
Noncovariant gauge fixing in the quantum Dirac field theory of atoms and molecules
Adam Stokes
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 23 July 2012
Rotationally resolved magnetic vibrational circular dichroism of the paramagnetic molecule NO
Baoliang Wang, Petr Bouř and Timothy A. Keiderling
Phys. Chem. Chem. Phys., Vol: 14, No: 27 , published: 21 July 2012
Limits on local Lorentz invariance in mercury and cesium
S. K. Peck, D. K. Kim, D. Stein, D. Orbaker, A. Foss, M. T. Hummon, and L. R. Hunter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 20 July 2012
Power-dependent line-shape corrections for quantitative spectroscopy
Thomas M. Stace, Gar-Wing Truong, James Anstie, Eric F. May, and André N. Luiten
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 17 July 2012
Application of a numerical-basis-state method to strong-field excitation and ionization of hydrogen atoms
Shaohao Chen, Xiang Gao, Jiaming Li, Andreas Becker, and Agnieszka Jaroń-Becker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 13 July 2012
Excitation energies from relativistic coupled-cluster theory of general excitation rank: Initial implementation and application to the silicon atom and to the molecules XH (X = As, Sb, Bi)
Mickaël Hubert, Lasse K. Sørensen, Jeppe Olsen, and Timo Fleig
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 13 July 2012
Single photoionization of Be and HF using the multiconfiguration time-dependent Hartree-Fock method
D. J. Haxton, K. V. Lawler, and C. W. McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 10 July 2012
Universality and the three-body parameter of 4He trimers
Pascal Naidon, Emiko Hiyama, and Masahito Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 09 July 2012
Numerical computation of dynamically important excited states of many-body systems
Mateusz Łącki, Dominique Delande, and Jakub Zakrzewski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 05 July 2012
The divergent atomic partition function or how to assign correct statistical weights to bound states
V. Ballenegger
Annalen der Physik , Vol: 524, No: 6-7 , published: 01 July 2012
Межмолекулярные взаимодействия и фотопроцессы в молекулярных системах
Артюхов В.Я., Майер Г.В.
Изв. вузов. Физ., Vol: 55, No: 7 , published: 01 July 2012
On the interaction between an electric quadrupole moment and electric fields
K. Bakke
Annalen der Physik , Vol: 524, No: 6-7 , published: 01 July 2012
Alternative approach to the solution of the momentum-space Schrödinger equation for bound states of the N-dimensional Coulomb problem
R. Szmytkowski
Annalen der Physik , Vol: 524, No: 6-7 , published: 01 July 2012
Supersymmetric solution of Schrödinger equation by using the asymptotic iteration method
G. Kocak, O. Bayrak, I. Boztosun
Annalen der Physik , Vol: 524, No: 6-7 , published: 01 July 2012
Современные тенденции развития теории химического строения А. М. Бутлерова
В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2012, No: 7 , published: 01 July 2012
Calculation of quadrupole polarizabilities with combined configuration interaction and coupled-cluster method
S. G. Porsev, M. S. Safronova, and M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 28 June 2012
Non-adiabatic excited state dynamics of riboflavin after photoexcitation
Bastian Klaumünzer, Dominik Kröner, Hans Lischka and Peter Saalfrank
Phys. Chem. Chem. Phys., Vol: 14, No: 24 , published: 28 June 2012
Reference electronic structure calculations in one dimension
Lucas O. Wagner, E. M. Stoudenmire, Kieron Burke and Steven R. White
Phys. Chem. Chem. Phys., Vol: 14, No: 24 , published: 28 June 2012
Natural molecular fragments, functional groups, and holographic constraints on electron densities
Paul G. Mezey
Phys. Chem. Chem. Phys., Vol: 14, No: 24 , published: 28 June 2012
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory
U. De Giovannini, D. Varsano, M. A. L. Marques, H. Appel, E. K. U. Gross, and A. Rubio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 27 June 2012
Monte Carlo calculation of ion, electron, and photon spectra of xenon atoms in x-ray free-electron laser pulses
Sang-Kil Son (손상길) and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 22 June 2012
Spatiotemporal dynamics of quantum jumps with Rydberg atoms
Tony E. Lee and M. C. Cross
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 21 June 2012
Quantum optomechanics beyond linearization
Bing He
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 19 June 2012
The Nature of Chemical Bonds from PNOF5 Calculations
Jon M. Matxain, Mario Piris , Jon Uranga, Xabier Lopez,  Gabriel Merino, Jesus M. Ugalde
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
An MO-Based Identification of Charge-Shift Bonds
Renana Gershoni-Poranne,  Amnon Stanger
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
Fixed node diffusion Monte Carlo using a genetic algorithm: a study of the CO–4HeN complex, N = 1…10
Jordan A. Ramilowski and David Farrelly
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
Fragment and localized orbital methods in electronic structure theory
Gregory J. O. Beran and So Hirata
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Practical quantum mechanics-based fragment methods for predicting molecular crystal properties
Shuhao Wen, Kaushik Nanda, Yuanhang Huang and Gregory J. O. Beran
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Exploring chemistry with the fragment molecular orbital method
Dmitri G. Fedorov, Takeshi Nagata and Kazuo Kitaura
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Comparison of explicitly correlated local coupled-cluster methods with various choices of virtual orbitals
Christine Krause and Hans-Joachim Werner
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
CRYSCOR: a program for the post-Hartree–Fock treatment of periodic systems
Cesare Pisani, Martin Schütz, Silvia Casassa, Denis Usvyat, Lorenzo Maschio, Marco Lorenz and Alessandro Erba
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method
Masato Kobayashi and Hiromi Nakai
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Electrostatically embedded many-body method for dipole moments, partial atomic charges, and charge transfer
Hannah R. Leverentz, Katie A. Maerzke, Samuel J. Keasler, J. Ilja Siepmann and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory
John M. Herbert, Leif D. Jacobson, Ka Un Lao and Mary A. Rohrdanz
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Approximately size extensive local multireference singles and doubles configuration interaction
David B. Krisiloff and Emily A. Carter
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Systematic fragmentation of large molecules by annihilation
Michael A. Collins
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
The fragment molecular orbital and systematic molecular fragmentation methods applied to water clusters
Spencer R. Pruitt, Matthew A. Addicoat, Michael A. Collins and Mark S. Gordon
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Fragment occupations in partition density functional theory
Rougang Tang, Jonathan Nafziger and Adam Wasserman
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Energy analysis of weak electron-donor–acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms
Suehiro Iwata
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Fragment-based quantum mechanical methods for periodic systems with Ewald summation and mean image charge convention for long-range electrostatic interactions
Peng Zhang, Donald G. Truhlar and Jiali Gao
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Localized optimized orbitals, coupled cluster theory, and chiroptical response properties
Harley R. McAlexander, Taylor J. Mach and T. Daniel Crawford
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit solvation
Tong Zhu, Xiao He and John Z. H. Zhang
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Hybrid one-electron/many-electron methods for ionized states of molecular clusters
Jinmei Zhang and Edward F. Valeev
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Correlation energies beyond the random-phase approximation: Inhomogeneous Singwi-Tosi-Land-Sjolander functional applied to spherical atoms and ions
Tim Gould and John F. Dobson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 06 June 2012
Quantum algorithm for obtaining the energy spectrum of a physical system
Hefeng Wang, S. Ashhab, and Franco Nori
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 05 June 2012
Noninformative prior in the quantum statistical model of pure states
Fuyuhiko Tanaka
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 05 June 2012
Linear quantum capacitance scaling for lanthanide and actinide atoms: Analysis of two differing sets of electron-affinity predictions
William E. Bunting and James C. Ellenbogen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 05 June 2012
A Special Conjugated Model around sp3 Carbon Atoms: Density Functional Theory Study on the Homoaromatic Electron Delocalization and Applications of Benzo-Fused Tetra(triptycene)porphyrins
Dongdong Qi, Lijuan Zhang, Luyang Zhao,  Xue Cai,  Jianzhuang Jiang
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Determination of the Static Zero-Field Splitting of Gd3+ Complexes in Solution from the Shifts of the Central Magnetic Fields of Their EPR Spectra
Pascal H. Fries, Elie Belorizky
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Determination of the Static Zero-Field Splitting of Gd3+ Complexes in Solution from the Shifts of the Central Magnetic Fields of Their EPR Spectra
Pascal H. Fries, Elie Belorizky
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Magic Pairs and Structural Transitions in Binary Metallic Clusters
Liviu-Cristian Cune
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Probability-based comparison of quantum states
Sergey N. Filippov and Mário Ziman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 01 June 2012
Derivation of a Model Hamiltonian in the “Short Time Scale” Limit
Sizhuk A.S., Yezhov S.M.
Укр. фiз. ж., Vol: 57, No: 6 , published: 01 June 2012
Vibrational manifestations of strong non-Condon effects in the H3O+·X3 (X = Ar, N2, CH4, H2O) complexes: A possible explanation for the intensity in the “association band” in the vibrational spectrum of water
Anne B. McCoy, Timothy L. Guasco, Christopher M. Leavitt, Solveig G. Olesen and Mark A. Johnson
Phys. Chem. Chem. Phys., Vol: 14, No: 20 , published: 28 May 2012
Time–energy mapping of photoelectron angular distribution: application to photoionization stereodynamics of nitric oxide
Yoshi-Ichi Suzuki, Ying Tang and Toshinori Suzuki
Phys. Chem. Chem. Phys., Vol: 14, No: 20 , published: 28 May 2012
Variational energies and the Fermi contact term for the low-lying states of lithium: Basis-set completeness
L. M. Wang, Z.-C. Yan, H. X. Qiao, and G. W. F. Drake
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 24 May 2012
Unusual angular momentum transfer in electron-impact excitation of neon
L. R. Hargreaves, C. Campbell, M. A. Khakoo, Oleg Zatsarinny, and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 22 May 2012
Theoretical description of field-assisted postcollision interaction in Auger decay of atoms
S. Bauch and M. Bonitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 22 May 2012
P-odd interaction constant WA from relativistic ab initio calculations of diatomic molecules
A. Borschevsky, M. Iliaš, V. A. Dzuba, K. Beloy, V. V. Flambaum, and P. Schwerdtfeger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 22 May 2012
Selected new developments in vibrational structure theory: potential construction and vibrational wave function calculations
Ove Christiansen
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Breaking multiple covalent bonds with Hartree–Fock-based quantum chemistry: Quasi-Variational Coupled Cluster theory with perturbative treatment of triple excitations
James B. Robinson and Peter J. Knowles
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Quantum computation with ultracold atoms in a driven optical lattice
Philipp-Immanuel Schneider and Alejandro Saenz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 16 May 2012
d-wave superfluid with gapless edges in a cold-atom trap
Anne-Louise Gadsbølle, H. Francis Song, and Karyn Le Hur
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 14 May 2012
Polarizabilities of Si2+: A benchmark test of theory and experiment
M. S. Safronova, S. G. Porsev, M. G. Kozlov, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 14 May 2012
Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments
Florian Dommert, Katharina Wendler, Prof. Dr. Robert Berger, Dr. Luigi Delle Site, Prof. Dr. Christian Holm
ChemPhysChem., Vol: 13, No: 7 , published: 14 May 2012
Narrow-line magneto-optical trap for erbium
A. Frisch, K. Aikawa, M. Mark, A. Rietzler, J. Schindler, E. Zupanič, R. Grimm, and F. Ferlaino
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 07 May 2012
Transformation design method for quantum states
De-Hone Lin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 07 May 2012
Квазиклассическая модель строения вещества
Г.В. Шпатаковская
Успехи физ. наук, Vol: 182, No: 5 , published: 01 May 2012
Математическое моделирование динамики заселенности “темных” состояний трехуровневой системы
В. А. Морозов, Ю. М. Дубина
Оптика и спектроскопия, Vol: 112, No: 5 , published: 01 May 2012
К вопросу о постановке задачи в общей квантовой теории спектров многоатомных молекул
Л. А. Грибов
Оптика и спектроскопия, Vol: 112, No: 5 , published: 01 May 2012
U(2) Lie Algebraic Study of Vibrational Spectra of Fullerene C80 and Its Epoxide C80–O
Sen R., Kalyan A., Paul R.S., Das R., Choudhury J., Sarkar N.K., Bhattacharjee R.
Укр. фiз. ж., Vol: 57, No: 5 , published: 01 May 2012
Энергетический спектр и оптические переходы в фуллерене С 70
Мурзашев А.И.
Изв. вузов. Физ., Vol: 55, No: 5 , published: 01 May 2012
Time-independent density-functional theory for excited states of Coulomb systems
Paul W. Ayers, Mel Levy, and Agnes Nagy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 30 April 2012
Symmetric two-point weighted density approximation for exchange energies
Rogelio Cuevas-Saavedra, Debajit Chakraborty, and Paul W. Ayers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 30 April 2012
Quantum electrodynamic calculation of the hyperfine structure of 3He
K. Pachucki, V. A. Yerokhin, and P. Cancio Pastor
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 27 April 2012
Quantum theory of longitudinal momentum transfer in above-threshold ionization
A. S. Titi and G. W. F. Drake
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 23 April 2012
Scaling properties of exchange and correlation holes of the valence shell of second-row atoms
A. C. Cancio and C. Y. Fong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 23 April 2012
Spectral data of helium atoms with screened Coulomb potentials using the B-spline approach
Yen-Chang Lin, Chih-Yuan Lin, and Yew Kam Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 23 April 2012
Квазиклассическое приближение для уравнения Дирака в центральном поле
Б. А. Зон, А. С. Корнев
Теор. и мат. физ., Vol: 171, No: 1 , published: 17 April 2012
Dominant-interaction Hamiltonians for high-order-harmonic generation in laser-assisted collisions
Carlos Zagoya, Christoph-Marian Goletz, Frank Grossmann, and Jan-Michael Rost
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 12 April 2012
Born-Oppenheimer potential for HeH+
Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 11 April 2012
Classical Reactive Molecular Dynamics Implementations: State of the Art
Karim Farah, Florian Müller-Plathe, Michael C. Böhm
ChemPhysChem., Vol: 13, No: 5 , published: 10 April 2012
Correlations in excited states of local Hamiltonians
Jianxin Chen, Zhengfeng Ji, Zhaohui Wei, and Bei Zeng
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 09 April 2012
Dynamical generation of arbitrary spin-orbit couplings for neutral atoms
Z. F. Xu and L. You
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 09 April 2012
Self-energy calculation of the hydrogen atom: Importance of the unbound states
R. Sakuma and F. Aryasetiawan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 06 April 2012
Experimental and theoretical characterization of the long-range interaction between He*(3s) and He(1s)
Nelly Bonifaci, Frederic Aitken, Vladimir M. Atrazhev, Steven L. Fiedler, and Jussi Eloranta
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 06 April 2012
Effective-potential model for high-L Rydberg atoms
Shannon L. Woods and S. R. Lundeen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 05 April 2012
Application of relativistic Fock-space coupled-cluster theory to study Li and Li-like ions in plasma
Madhulita Das, Madhusmita Das, Rajat K. Chaudhuri, and Sudip Chattopadhyay
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 05 April 2012
Failure of the random-phase-approximation correlation energy
Paula Mori-Sánchez, Aron J. Cohen, and Weitao Yang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 05 April 2012
Multiconfiguration Dirac-Hartree-Fock energy levels and transition probabilities for W xxxviii
Charlotte Froese Fischer and Gediminas Gaigalas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 03 April 2012
Magnetic-field-induced electric quadrupole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
Radosław Szmytkowski and Patrycja Stefańska
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 03 April 2012
Дуальные сжатые состояния в атомно-фотонном кластере и их проявления
Трубилко А.И.
Ж. эксперим. и теор. физ., Vol: 141, No: 4 , published: 01 April 2012
A simulated annealing based study to design optimum pulses for selective target excitation in vibrational levels
S. Guha, N. Mukherjee, P. Chaudhury
Indian J. Phys., Vol: 86, No: 4 , published: 01 April 2012
Protonic structure of CH3OH described by electroprotonic wave functions
Tsuyoshi Kato and Kaoru Yamanouchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 30 March 2012
Time-dependent spin dressing using a 3He atomic beam
S. Eckel, S. K. Lamoreaux, M. E. Hayden, and T. M. Ito
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 28 March 2012
Feshbach projection-operator partitioning for quantum open systems: Stochastic approach
Jun Jing, Lian-Ao Wu, J. Q. You, and Ting Yu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 28 March 2012
An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins
Toru Matsui, Takeshi Baba, Katsumasa Kamiya and Yasuteru Shigeta
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Multi-structural variational transition state theory: kinetics of the 1,5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional anharmonicity
Xuefei Xu, Ewa Papajak, Jingjing Zheng and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Demonstration of the Gunnarsson-Lundqvist theorem and the multiplicity of potentials for excited states
Yu-Qi Li, Xiao-Yin Pan, Biao Li, and Viraht Sahni
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 21 March 2012
Effect of the overall rotation on the cistrans isomerization of HONO induced by an external field
Matthieu Sala, Fabien Gatti, David Lauvergnat and Hans-Dieter Meyer
Phys. Chem. Chem. Phys., Vol: 14, No: 11 , published: 21 March 2012
The linear response kernel of conceptual DFT as a measure of aromaticity
Nick Sablon, Frank De Proft, Miquel Solà and Paul Geerlings
Phys. Chem. Chem. Phys., Vol: 14, No: 11 , published: 21 March 2012
Combining MFD and PIE for Accurate Single-Pair Förster Resonance Energy Transfer Measurements
Dr. Volodymyr Kudryavtsev, Dr. Martin Sikor, Dr. Stanislav Kalinin, Dr. Dejana Mokranjac, Prof. Dr. Claus A. M. Seidel and Prof. Don C. Lamb
ChemPhysChem., Vol: 13, No: 4 , published: 19 March 2012
Hidden Markov Analysis of Trajectories in Single-Molecule Experiments and the Effects of Missed Events
Johannes Stigler and Prof. Dr. Matthias Rief
ChemPhysChem., Vol: 13, No: 4 , published: 19 March 2012
Ab initio studies of electron correlation and Gaunt interaction effects in the boron isoelectronic sequence using coupled-cluster theory
Narendra Nath Dutta and Sonjoy Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 16 March 2012
Prediction of Feshbach resonances using an analytical quantum-defect matrix
Gao-Ren Wang (王高仁), Ting Xie (谢廷), Wei Zhang (张为), Yin Huang (黄寅), and Shu-Lin Cong (丛书林)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 14 March 2012
Solution of the time-dependent Dirac equation for multiphoton ionization of highly charged hydrogenlike ions
Yulian V. Vanne and Alejandro Saenz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 09 March 2012
Rydberg-valence mixing and interchannel coupling in resonant oxygen 1s inelastic x-ray scattering of O2
Victor Kimberg, Tatsuo Gejo, Masaki Oura, Takashi Tokushima, Yuka Horikawa, Hidemi Arai, Shik Shin, and Nobuhiro Kosugi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 05 March 2012
Ionization potentials and electron affinities from reduced-density-matrix functional theory
E. N. Zarkadoula, S. Sharma, J. K. Dewhurst, E. K. U. Gross, and N. N. Lathiotakis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 05 March 2012
Ланжевеновский и обобщенный ланжевеновский типы спонтанного излучения квантовых частиц
А. М. Башаров
Оптика и спектроскопия, Vol: 112, No: 3 , published: 01 March 2012
Влияние коллективных эффектов на процесс распространения электромагнитного излучения в плотных ультрахолодных атомных ансамблях
А. С. Курапцев, И. М. Соколов, Я. А. Фофанов
Оптика и спектроскопия, Vol: 112, No: 3 , published: 01 March 2012
Управление откликом атома в многокомпонентных лазерных полях
А. В. Андреев, С. Ю. Стремоухов, О. А. Шутова
Оптика и спектроскопия, Vol: 112, No: 3 , published: 01 March 2012
Расчет колебательных уровней энергии трехатомных молекул симметрии C2v и CS суммированием расходящихся рядов теории возмущений Релея–Шрёдингера
А. Д. Быков, К. В. Калинин
Оптика и спектроскопия, Vol: 112, No: 3 , published: 01 March 2012
Discontinuities of the exchange-correlation kernel and charge-transfer excitations in time-dependent density-functional theory
Maria Hellgren and E. K. U. Gross
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 29 February 2012
Superradiant exchange of orbital angular momentum between light and cold atoms
G. R. M. Robb
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 28 February 2012
Existence of triply charged actinide-hydride molecules
Johannes Lachner, Marcus Christl, Christof Vockenhuber, Hans-Arno Synal, Xiaoyan Cao-Dolg, and Michael Dolg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 28 February 2012
Quantum mechanical simulation of solid effect dynamic nuclear polarisation using Krylov–Bogolyubov time averaging and a restricted state-space
Alexander Karabanov, Anniek van der Drift, Luke J. Edwards, Ilya Kuprov and Walter Köckenberger
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
Generalized space-translated Dirac and Pauli equations for superintense laser-atom interactions
Madalina Boca, Viorica Florescu, and Mihai Gavrila
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 27 February 2012
QED calculation of the nuclear magnetic shielding for hydrogenlike ions
V. A. Yerokhin, K. Pachucki, Z. Harman, and C. H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 24 February 2012
Evaluation of the screened vacuum-polarization corrections to the hyperfine splitting of Li-like bismuth
O. V. Andreev, D. A. Glazov, A. V. Volotka, V. M. Shabaev, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 21 February 2012
Impact of multichannel and multipole effects on the Cooper minimum in the high-order-harmonic spectrum of argon
Stefan Pabst, Loren Greenman, David A. Mazziotti, and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 21 February 2012
Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations
Nguyen-Thi Van-Oanh, Cyril Falvo, Florent Calvo, David Lauvergnat, Marie Basire, Marie-Pierre Gaigeot, Pascal Parneix
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods
Patrick Bultinck, Dimitri Van Neck, Guillaume Acke, Paul W. Ayers
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Quantum defects of nonpenetrating Rydberg states of the SO molecule in adiabatic and nonadiabatic regions of the spectrum
Dmitry L. Dorofeev, Sergei V. Elfimov, and Boris A. Zon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 14 February 2012
Higher-order split operator schemes for solving the Schrödinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculations
Zhigang Sun, Weitao Yang and Dong H. Zhang
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
On the analyses of fluorescence depolarisation data in the presence of electronic energy migration. Part II: Applying and evaluating two-photon excited fluorescence
Oleg Opanasyuk, Therese Mikaelsson, Linus Ryderfors, Emad Mukhtar and Lennart B.-Å. Johansson
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
Measurement and Applications of Long-Range Heteronuclear Scalar Couplings: Recent Experimental and Theoretical Developments
Nilamoni Nath, Lokesh, Nagarajarao Suryaprakash
ChemPhysChem., Vol: 13, No: 3 , published: 14 February 2012
Do Cation⋅⋅⋅π Interactions Always Need to be 1:1?
Sharon Achamma Abraham, Deepthi Jose, Ayan Datta
ChemPhysChem., Vol: 13, No: 3 , published: 14 February 2012
Can Aromaticity Coexist with Diradical Character? An Ab Initio Valence Bond Study of S2N2 and Related 6π-Electron Four-Membered Rings E2N2 and E42+ (E=S, Se, Te)
Benoît Braïda, Aurélien Lo, Philippe C. Hiberty
ChemPhysChem., Vol: 13, No: 3 , published: 14 February 2012
Coherent Motion Reveals Non-Ergodic Nature of Internal Conversion between Excited States
Thomas S. Kuhlman, Theis I. Sølling, Klaus B. Møller
ChemPhysChem., Vol: 13, No: 3 , published: 14 February 2012
Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules
Sonia Coriani, Ove Christiansen, Thomas Fransson, and Patrick Norman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 08 February 2012
Few-body bound-state stability of dipolar molecules in two dimensions
A. G. Volosniev, D. V. Fedorov, A. S. Jensen, and N. T. Zinner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 08 February 2012
Binding and structure of tetramers in the scaling limit
M. R. Hadizadeh, M. T. Yamashita, Lauro Tomio, A. Delfino, and T. Frederico
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 08 February 2012
A tug-of-war between electronic excitation and confinement in a dynamical context
Utpal Sarkar, Munmun Khatua,  Pratim Kumar Chattaraj
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
Generalized nonlocal kinetic energy density functionals based on the von Weizsäcker functional
David García-Aldea,  José E. Alvarellos
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
Numerical solution of the time-independent Dirac equation for diatomic molecules: B splines without spurious states
François Fillion-Gourdeau, Emmanuel Lorin, and André D. Bandrauk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 07 February 2012
Photoexcited tautomerization of vinyl alcohol to acetylaldehyde via a conical intersection from contracted Schrödinger theory
James W. Snyder Jr.,  David A. Mazziotti
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
The Stern–Gerlach experiment and the effects of spin relaxation
Håkan Wennerström,  Per-Olof Westlund
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
Extension of the Schiff theorem to ions and molecules
V. V. Flambaum and A. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 06 February 2012
Relativistic many-body calculation of energies, oscillator strengths, transition rates, and lifetimes of Sc III ion
M. S. Safronova and U. I. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 06 February 2012
Topological angular momentum in electron exchange excitation of a single atom
J. F. Williams, L. Pravica, and S. N. Samarin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 06 February 2012
Variational calculation of 4He tetramer ground and excited states using a realistic pair potential
E. Hiyama and M. Kamimura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 02 February 2012
Strong enhancement of forbidden atomic transitions using plasmonic nanostructures
A. M. Kern and O. J. F. Martin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 01 February 2012
Interplay of strong chemical bonds and the repulsive Coulomb force in the metastable states of triply ionized homonuclear molecules: A theoretical study of N23+ and O23+
Yutaka Imamura and Takaki Hatsui
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 31 January 2012
Creating quantum correlations through local nonunitary memoryless channels
Francesco Ciccarello and Vittorio Giovannetti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 30 January 2012
Strong-field adiabatic passage in the continuum: Electromagnetically induced transparency and stimulated Raman adiabatic passage
A. Eilam and M. Shapiro
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 27 January 2012
Nuclear spin conversion in H2O
P. Cacciani, J. Cosléou, and M. Khelkhal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 27 January 2012
Assessment of density functional theory for bonds formed between rare gases and open-shell atoms: a computational study of small molecules containing He, Ar, Kr and Xe
Marjorie Bertolus, Mohamed Major and Valérie Brenner
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Overhauser DNP with 15N labelled Frémy's salt at 0.35 Tesla
Maria-Teresa Türke, Giacomo Parigi, Claudio Luchinat and Marina Bennati
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Fast orbital localization scheme in molecular fragments resolution
Piotr de Silva, Marek Giebułtowski and Jacek Korchowiec
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Anharmonic nuclear dynamics in the mixed quantum-classical limit
Mohamad Toutounji
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Configurational entropy: an improvement of the quasiharmonic approximation using configurational temperature
Phuong H. Nguyen and Philippe Derreumaux
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Random-phase-approximation correlation method including exchange interactions
Andreas Heßelmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 25 January 2012
On the strong influence of inner shell resonances upon the outer shell photoionization of endohedral atoms
Amusia M.Ya., Chernysheva L.V.
Письма в ЖЭТФ, Vol: 95, No: 2 , published: 25 January 2012
По итогам проектов Российского фонда фундаментальных исследований Проект РФФИ # 08-02-01249a Ферми-газ атомов
Турлапов А.В.
Письма в ЖЭТФ, Vol: 95, No: 2 , published: 25 January 2012
Entanglement between an autoionizing system and a neighboring atom
Antonín Lukš, Jan Peřina, Jr., Wieslaw Leoński, and Vlasta Peřinová
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 23 January 2012
The fourth age of quantum chemistry: molecules in motion
Attila G. Császár, Csaba Fábri, Tamás Szidarovszky, Edit Mátyus, Tibor Furtenbacher and Gábor Czakó
Phys. Chem. Chem. Phys., Vol: 14, No: 3 , published: 19 January 2012
Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximation
Daniel H. Friese, Christof Hättig and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 14, No: 3 , published: 19 January 2012
Ab initio and empirical energy landscapes of (MgF2)n clusters (n = 3, 4)
S. Neelamraju, J. C. Schön, K. Doll and M. Jansen
Phys. Chem. Chem. Phys., Vol: 14, No: 3 , published: 19 January 2012
Parity nonconservation in hyperfine transitions
V. A. Dzuba and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 18 January 2012
Excited-state nuclear forces on adiabatic potential-energy surfaces by time-dependent density-functional theory
Jun Haruyama, Takahiro Suzuki, Chunping Hu, and Kazuyuki Watanabe
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 18 January 2012
Exchange-only optimized-effective-potential calculations using Slater-type basis functions: Atoms and diatomic molecules
J. J. Fernández, J. E. Alvarellos, P. García-González, and M. Filatov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 17 January 2012
Coulomb-gauge self-energy calculation for high-Z hydrogenic ions
Daniel Hedendahl and Johan Holmberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 17 January 2012
Progress and Challenges in the Calculation of Electronic Excited States
Leticia González, Daniel Escudero,  Luis Serrano-Andrés
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
Rotational Energy Transfer of SH(X2Π, v′′=0, J′′=0.5–10.5) by Collision with Ar: Λ-Doublet Resolved Transition Propensity
Po-Yu Tsai, King-Chuen Lin
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
Об устойчивости симметричных четырехчастичных молекул
Т. К. Ребане
Оптика и спектроскопия, Vol: 112, No: 1 , published: 14 January 2012
Weakly bound states of the He-He-Ca triatomic system
Qingdong Gou and Yong Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 13 January 2012
Coherent population trapping under periodic polarization modulation: Appearance of the CPT doublet
M. Huang and J. C. Camparo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 12 January 2012
Routes to formation of highly excited neutral atoms in the breakup of strongly driven H2
A. Emmanouilidou, C. Lazarou, A. Staudte, and U. Eichmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 11 January 2012
Дуальные сжатые состояния
Трубилко А.И.
Письма в ЖЭТФ, Vol: 95, No: 1 , published: 10 January 2012
Atomic properties of Pb III
M. S. Safronova, M. G. Kozlov, and U. I. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 09 January 2012
Perspectives of relativistic quantum chemistry: the negative energy cat smiles
Wenjian Liu
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
Improved chemical energy component analysis
I. Mayer
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
Ultimate sensitivity of precision measurements with intense Gaussian quantum light: A multimodal approach
Olivier Pinel, Julien Fade, Daniel Braun, Pu Jian, Nicolas Treps, and Claude Fabre
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 06 January 2012
Strong configuration interaction in the double ionization spectra of noble gases studied by the relativistic propagator method
Markus Pernpointner, J. Patrick Zobel, and Nikolai V. Kryzhevoi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 04 January 2012
Multipolar blackbody radiation shifts for single-ion clocks
Bindiya Arora, D. K. Nandy, and B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 04 January 2012
Accuracy of the Faddeev random phase approximation for light atoms
C. Barbieri, D. Van Neck, and M. Degroote
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 03 January 2012
Binding-energy predictions of positronium-atom systems
Xiang Cheng, D. Babikov, and D. M. Schrader
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 03 January 2012
On the general structure of mathematical models for physical systems
D.H. Delphenich
Annalen der Physik , Vol: 523, No: 12 , published: 21 December 2011
Otto Stern (1888–1969): The founding father of experimental atomic physics
J.P. Toennies, H. Schmidt-Böcking, B. Friedrich and J.C.A. Lower
Annalen der Physik , Vol: 523, No: 12 , published: 21 December 2011
Aromaticity in heterocyclic analogues of benzene: comprehensive analysis of structural aspects, electron delocalization and magnetic characteristics
Irina V. Omelchenko, Oleg V. Shishkin, Leonid Gorb, Jerzy Leszczynski, Stijn Fias and Patrick Bultinck
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
How do electron localization functions describe π-electron delocalization?
Stephan N. Steinmann, Yirong Mo and Clemence Corminboeuf
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa
Santanab Giri, Sateesh Bandaru, Arindam Chakraborty and Pratim K. Chattaraj
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Density functional theoretical investigation of the aromatic nature of BN substituted benzene and four ring polyaromatic hydrocarbons
Dibyajyoti Ghosh, Ganga Periyasamy and Swapan K. Pati
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Applying the conjugated circuits method to Clar structures of [n]phenylenes for determining resonance energies
Milan Randić, Alexandru T. Balaban and Dejan Plavšić
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Using Clar sextets for two- and three-dimensional aromatic systems
Alexandru T. Balaban
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Aromatic pathways in mono- and bisphosphorous singly Möbius twisted [28] and [30]hexaphyrins
Heike Fliegl, Dage Sundholm and Fabio Pichierri
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Beyond NICS: estimation of the magnetotropicity of inorganic unsaturated planar rings
Stefano Pelloni, Guglielmo Monaco, Paolo Lazzeretti and Riccardo Zanasi
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
4-Component relativistic magnetically induced current density using London atomic orbitals
David Sulzer, Małgorzata Olejniczak, Radovan Bast and Trond Saue
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
Ferran Feixas, Jelle Vandenbussche, Patrick Bultinck, Eduard Matito and Miquel Solà
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Ab initio theoretical calculations of the electronic excitation energies of small water clusters
Hiroto Tachikawa, Akihiro Yabushita and Masahiro Kawasaki
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Homolytic molecular dissociation in natural orbital functional theory
J. M. Matxain, M. Piris, F. Ruipérez, X. Lopez and J. M. Ugalde
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters
Laia Vilà-Nadal, Scott G. Mitchell, Antonio Rodríguez-Fortea, Haralampos N. Miras, Leroy Cronin and Josep M. Poblet
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
Theoretical and experimental studies of CH3X–Y2 rotational line shapes for atmospheric spectra modelling: application to room-temperature CH3Cl–O2
Jeanna Buldyreva, Mickaël Guinet, Sophie Eliet, Francis Hindle, Gaël Mouret, Robin Bocquet and Arnaud Cuisset
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study
Antonio Bauzá, David Quiñonero, Antonio Frontera and Pere M. Deyà
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
Post-modern valence bond theory for strongly correlated electron spins
David W. Small, Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Multi-structural thermodynamics of C–H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals
Jingjing Zheng, Tao Yu,  Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Benchmark results for empirical post-GGA functionals: Difficult exchange problems and independent tests
Narbe Mardirossian, John A. Parkhill and Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
A new force field model of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and acetonitrile mixtures
Vitaly V. Chaban,  Oleg V. Prezhdo
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
A density functional theory study of uranium(VI) nitrate monoamide complexes
Antonio Prestianni, Laurent Joubert, Alexandre Chagnes, Gérard Cote,  Carlo Adamo
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parameters
Jérôme Cuny, Kateryna Sykina, Bruno Fontaine, Laurent Le Pollès, Chris J. Pickard, Régis Gautier
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Межоболочечные корреляции при нерезонансном комптоновском рассеянии рентгеновского фотона атомом
Хоперский А.Н., Надолинский А.М., Икоева К.Х., Хорошавина О.А.
Ж. эксперим. и теор. физ., Vol: 140, No: 5 , published: 20 November 2011
Кинетические уравнения для матрицы плотности, описывающие нелинейные эффекты в крыльях спектральных линий
Пархоменко А.И., Шалагин А.М.
Ж. эксперим. и теор. физ., Vol: 140, No: 5 , published: 20 November 2011
Photoassociation spectroscopy of ultracold metastable 3He dimers
Daniel G. Cocks, Gillian Peach and Ian B. Whittingham
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Lifetime of vibrational levels from Fourier grid calculations: RbCs example
B. E. Londoño, J. Mahecha, E. Luc-Koenig and A. Crubellier
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Theoretical description of adiabatic laser alignment and mixed-field orientation: the need for a non-adiabatic model
J. J. Omiste, M. Gärttner, P. Schmelcher, R. González-Férez, L. Holmegaard, J. H. Nielsen, H. Stapelfeldt and J. Küpper
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Homogeneous Bose gas of dipolar molecules in the mean field approximation
Robert E. Zillich and K. Birgitta Whaley
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Theoretical characterization of laser- and sympathetically-cooled ions in surface-electrode ion traps
I. M. Georgescu and S. Willitsch
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Implementing quantum algorithms in hyperfine levels of ultracold polar molecules by optimal control
Philippe Pellegrini, Stéphane Vranckx and Michèle Desouter-Lecomte
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Deeply bound cold caesium molecules formed after 0g resonant coupling
H. Lignier, A. Fioretti, R. Horchani, C. Drag, N. Bouloufa, M. Allegrini, O. Dulieu, L. Pruvost, P. Pillet and D. Comparat
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Charge exchange in collisions of beryllium with its ion
Peng Zhang, Alexander Dalgarno, Robin Côté and Enrico Bodo
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Treating highly charged carbon and fullerene clusters as dielectric particles
Anthony J. Stace and Elena Bichoutskaia
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Al(CN) 3− 6 and Al(NC)3−6 trianions
Thomas Sommerfeld and Bijay Bhattarai
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Time-resolved photoelectron spectroscopy: from wavepackets to observables
Guorong Wu, Paul Hockett and Albert Stolow
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Scrutinizing the effects of polarization in QM/MM excited state calculations
Kristian Sneskov, Tobias Schwabe, Ove Christiansen and Jacob Kongsted
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Acid–base thermochemistry of gaseous oxygen and sulfur substituted amino acids (Ser, Thr, Cys, Met)
Vanessa Riffet, Gilles Frison and Guy Bouchoux
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Photoionization of Xe+ ion confined in C60 fullerene
Zhifan Chen, Alfred Z. Msezane
Can. J. Phys., Vol: 89, No: 11 , published: 11 November 2011
Photoionization of Al-like Si using the R-matrix method
Jagjit Singh, Sunny Aggarwal, A.K.S. Jha, A.K. Singh, M. Mohan
Can. J. Phys., Vol: 89, No: 11 , published: 11 November 2011
Exact spin coherent state path integral for a two-level atom in gravitational fields
Mekki Aouachria
Can. J. Phys., Vol: 89, No: 11 , published: 11 November 2011
Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
Jörg Behler
Phys. Chem. Chem. Phys., Vol: 13, No: 40 , published: 06 November 2011
Impact of tunneling on hydrogen-migration of the n-propylperoxy radical
Feng Zhang and Theodore S. Dibble
Phys. Chem. Chem. Phys., Vol: 13, No: 40 , published: 06 November 2011
J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran space
Pedro Salvador, I-Hsien (Midas) Tsai,  J. J. Dannenberg
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Electric field-controlled dissociation and association of porphyrin J-aggregates in aqueous solution
Kazuaki Nakata, Takayoshi Kobayashi,  Eiji Tokunaga
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Multi-state multi-mode nuclear dynamics on three isomers of C6H4F+2 using parallelized TDDVR approach
Subhankar Sardar, Panchanan Puzari and Satrajit Adhikari
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin–spin coupling constants
Olga L. Malkina, Anežka Křístková, Elena Malkin, Stanislav Komorovský and Vladimir G. Malkin
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments
Denis Jacquemin, Benedetta Mennucci and Carlo Adamo
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach
Francisco José Avila Ferrer, Roberto Improta, Fabrizio Santoro and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Slow photoelectron velocity-map imaging spectroscopy of the phenoxide and thiophenoxide anions
Jongjin B. Kim, Tara I. Yacovitch, Christian Hock and Daniel M. Neumark
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Analog of the Coherent Population Trapping State in a Polychromatic Field
Romanenko V.I., Romanenko A.V., Yatsenko L.P.
Укр. фiз. ж., Vol: 56, No: 10 , published: 13 October 2011
Moment coupling in the interaction of atoms and their ions with a 3d-electron shell
Kosarim A.V., Smirnov B.M., Capitelli M., Laricchiuta A.
Ж. эксперим. и теор. физ., Vol: 140, No: 3 , published: 29 September 2011
Невинеровский тип спонтанного излучения
Башаров А.М.
Ж. эксперим. и теор. физ., Vol: 140, No: 3 , published: 29 September 2011
On the origin dependence of the angle made by the electric and magnetic vibrational transition dipole moment vectors
Valentin Paul Nicu, Evert Jan Baerends
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Electron delocalization in various triply linked zinc(II) porphyrin arrays: role of antiaromatic junctions between aromatic porphyrins
Sung Cho, Min-Chul Yoon, Kil Suk Kim, Pyosang Kim, Dongho Kim
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Cluster-assembled materials based on M12N12 (M = Al, Ga) fullerene-like clusters
Yongliang Yong, Bin Song, Pimo He
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Correlation effects on the structure and dynamics of the H3O+ hydrate: B3LYP/MM and MP2/MM MD simulations
Thanawat Somtua, Anan Tongraar
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds
Waldemar Hujo and Stefan Grimme
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
An ab initio study of cooperative effects in ternary complexes X:CNH:Z with X, Z=CNH, FH, ClH, FCl, and HLi: structures, binding energies, and spin–spin coupling constants across intermolecular bonds
Janet E. Del Bene, Ibon Alkorta and José Elguero
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
A combined Raman- and infrared jet study of mixed methanol–water and ethanol–water clusters
Marija Nedić, Tobias N. Wassermann, René Wugt Larsen and Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Graphical prediction of quantum interference-induced transmission nodes in functionalized organic molecules
Troels Markussen, Robert Stadler, Kristian S. Thygesen
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Bias-controlled selective excitation of vibrational modes in molecular junctions: a route towards mode-selective chemistry
Roie Volkovich, Rainer Härtle, Michael Thoss, Uri Peskin
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Spin seebeck coefficient of a molecular spin pump
Jonas Fransson, Michael Galperin
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Existence of time-dependent density-functional theory for open electronic systems: Time-dependent holographic electron density theorem
Xiao Zheng, ChiYung Yam, Fan Wang, GuanHua Chen
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
QM/MM calculation of protein magnetic shielding tensors with generalized hybrid-orbital method: A GIAO approach
Yoshinobu Akinaga, Jaewoon Jung, Seiichiro Ten-no
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Theoretical study of electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part I. Static aspects
S. Ghanta, V. Sivaranjana Reddy, S. Mahapatra
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Theoretical study of the electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part II. Dynamics consequences
S. Ghanta, V. Sivaranjana Reddy, S. Mahapatra
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation
Celestino Angeli, Carmen J. Calzado, Coen de Graaf, Rosa Caballol
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Role of four-membered rings in C32 fullerene stability and mechanisms of generalized Stone-Wales transformation: a density functional theory investigation
Weiwei Wang, Jingshuang Dang, Xiang Zhao
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Nonexistence of a “local suppression” in the ionization of hydrogen atoms by a low-frequency laser field of arbitrary strength
V.P. Gavrilenko, E. Oks
Can. J. Phys., Vol: 89, No: 8 , published: 14 August 2011
Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules
Alexander Schubert, Volker Engel
Z. phys. Chem., Vol: 225, No: 6-7 , published: 08 August 2011
Rovibrational levels of HD
Pachucki Krzysztof Pachucki/Komasa Jacek
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2011
Quantum stereodynamics of Li + HF reactive collisions: the role of reactants polarization on the differential cross section
L. González-Sánchez, O. Vasyutinskii, A. Zanchet, C. Sanz-Sanz and O. Roncero
Phys. Chem. Chem. Phys., Vol: 13, No: 30 , published: 29 July 2011
Hofmeister effects: interplay of hydration, nonelectrostatic potentials, and ion size
Drew F. Parsons, Mathias Boström, Pierandrea Lo Nostro and Barry W. Ninham
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
Recent advances and perspectives in four-component Dirac–Kohn–Sham calculations
Leonardo Belpassi, Loriano Storchi, Harry M. Quiney and Francesco Tarantelli
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
Hybrid density functional theory/molecular mechanics calculations of two-photon absorption of dimethylamino nitro stilbene in solution
N. Arul Murugan, Jacob Kongsted, Zilvinas Rinkevicius, Keęstutis Aidas, Kurt V. Mikkelsen and Hans Ågren
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
A new method for screening potential sII and sH hydrogen clathrate hydrate promoters with model potentials
Terry J. Frankcombe and Geert-Jan Kroes
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
Kinetics of Thermal Excitation of a Molecule in a Condensed Medium
Teslenko V.I., Iatsenko D.Y.
Укр. фiз. ж., Vol: 56, No: 7 , published: 18 July 2011
Quantifying the breakdown of the Born–Oppenheimer approximation in surface chemistry
Igor Rahinov, Russell Cooper, Daniel Matsiev, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 28 , published: 15 July 2011
Эффект стабилизации возбужденного состояния одинаковых частиц штарковским взаимодействием
Башаров А.М.
Письма в ЖЭТФ, Vol: 94, No: 1 , published: 10 July 2011
The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals
W. Carl Lineberger and Weston Thatcher Borden
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?—testing the model against charged systems in singlet and triplet states
Justyna Dominikowska and Marcin Palusiak
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Entanglement Symmetry, Amplitudes, and Probabilities: Inverting Born’s Rule
Wojciech H. Zurek
Phys. Rev. Lett., Vol: 106, No: 25 , published: 22 June 2011
О роли корреляционной энергии, обусловленной спин-спиновым взаимодействием, в формировании энергии связи двухэлектронных атомных систем
Шолин Г.В., Тренин А.Е.
Ж. эксперим. и теор. физ., Vol: 139, No: 6 , published: 18 June 2011
Стационарное состояние ансамбля атомов малой плотности в монохроматическом поле с учетом эффектов отдачи
Прудников О.Н., Ильенков Р.Я., Тайченачев А.В., Тумайкин А.М., Юдин В.И.
Ж. эксперим. и теор. физ., Vol: 139, No: 6 , published: 18 June 2011
Многофотонная ионизация атомов двухцветным лазерным импульсом
Котельников И.А., Бородин А.В., Шкуринов А.П.
Ж. эксперим. и теор. физ., Vol: 139, No: 6 , published: 18 June 2011
Модель индивидуальных соударений для описания переноса электронов в веществе
Жуковский М.Е., Подоляко С.В., Усков Р.В.
Мат. моделир., Vol: 23, No: 6 , published: 16 June 2011
Energies and Auger widths of the high-lying double-excited states for Be-like neon
Lin Zhuo, Bing-Cong Gou, Feng Wang
Can. J. Phys., Vol: 89, No: 6 , published: 14 June 2011
Рентгенодифракционный анализ искажений эпитаксиальной пленки на отклоненных подложках (001)
А. В. Колесников, А. С. Ильин, Е. М. Труханов, А. П. Василенко, И. Д. Лошкарев, А. С. Дерябин
Изв. РАН. Сер. физ., Vol: 75, No: 5 , published: 10 June 2011
Раби-динамика двухуровневых систем в поле бигармонического сигнала
М. В. Денисенко, А. М. Сатанин
Изв. РАН. Сер. физ., Vol: 75, No: 5 , published: 10 June 2011
Atomic magneto-dipole photoionization
Amusia M.Ya., Baltenkov A.S.
Письма в ЖЭТФ, Vol: 93, No: 11-12 , published: 05 June 2011
An analysis of two local measures of the electronic localization: a comparison with the ELF and the exchange-correlation density results
Luis Rincón, José E. Alvarellos, Rafael Almeida
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Application of the electron density force to chemical reactivity
Christophe Morell, Paul W. Ayers, André Grand. et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path
A. J. C. Varandas
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory
Mu-Jeng Cheng, Robert J. Nielsen, Jamil Tahir-Kheli, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Heating a bowl of single-molecule-soup: structure and desorption energetics of water-encapsulated open-cage [60] fullerenoid anions in the gas-phase
Oliver Hampe, Tatjana Karpuschkin, Matthias Vonderach, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Effect of spontaneously generated coherence on left-handedness in a degeneracy atomic system
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Письма в ЖЭТФ, Vol: 94, No: 5 , published: 24 May 2011
Long-range energy transfer and ionization in extended quantum systems driven by ultrashort spatially shaped laser pulses
Guennaddi K., Paramonov André, D. Bandrauk, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
A semi-classical model of attosecond electron localization in dissociative ionization of hydrogen
Freek Kelkensberg, Giuseppe Sansone, Misha Y. Ivanov
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Waveform control of orientation-dependent ionization of DCl in few-cycle laser fields
I. Znakovskaya, P. von den Hoff, N. Schirmel, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Laser-induced alignment and anti-alignment of rotationally excited molecules
Nina Owschimikow, Burkhard Schmidt, Nikolaus Schwentner
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Monitoring the effect of a control pulse on a conical intersection by time-resolved photoelectron spectroscopy
Yasuki Arasaki, Kwanghsi Wang, Vincent McKoy, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
New coupled cluster approaches based on the unrestricted Hartree–Fock reference for treating molecules with multireference character
Jun Shen, Enhua Xu, Zhuangfei Kou, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Quantum control of a molecular system in an intense field via the selective population of dressed states
Hongbin Yao, Yujun Zheng
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Creation, destruction, and transfer of atomic multipole moments by electron scattering: relativistic treatment
G. Csanak, C.J. Fontes, D.P. Kilcrease, D.V. Fursa
Can. J. Phys., Vol: 89, No: 5 , published: 15 May 2011
Dielectronic recombination and satellite line spectra of highly charged tungsten ions
U.I. Safronova, A.S. Safronova, P. Beiersdorfer
Can. J. Phys., Vol: 89, No: 5 , published: 15 May 2011
Configuration interaction in statistically complete hybrid-structure atomic models
S.B. Hansen
Can. J. Phys., Vol: 89, No: 5 , published: 15 May 2011
Когерентные эффекты в некогерентном канале рассеяния резонансного излучения возбужденными атомами
Векленко Б.А.
Ж. эксперим. и теор. физ., Vol: 139, No: 5 , published: 14 May 2011
Двойная структура резонанса насыщенного поглощения на открытом атомном переходе
Васильев В.В., Величанский В.Л., Зибров С.А., et al.
Ж. эксперим. и теор. физ., Vol: 139, No: 5 , published: 14 May 2011
Распад отрицательного молекулярного иона в постоянном электрическом поле
Борзунов С.В., Манаков Н.Л., Старас А.Ф., et al.
Ж. эксперим. и теор. физ., Vol: 139, No: 5 , published: 14 May 2011
The level structure of atomic lutetium (Z= 71): a relativistic Hartree-Fock calculation
B. Karaçoban and L. Özdemir
Indian J. Phys., Vol: 85, No: 5 , published: 08 May 2011
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond
Marcus Böckmann, Dominik Marx, Christine Peter, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 17 , published: 06 May 2011
Ground-state properties of LiH by reptation quantum Monte Carlo methods
Egor Ospadov, Daniel G. Oblinsky, Stuart M. Rothstein
Phys. Chem. Chem. Phys., Vol: 13, No: 17 , published: 06 May 2011
Momentum vector correlations in three-particle fragmentation of triatomic hydrogen
H. Höffler, P. C. Fechner, M. Gisi, F. Baumgartner, U. Galster, and H. Helm
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 29 April 2011
Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections
Sergiy Bubin, Monika Stanke, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 29 April 2011
Quantum control by means of Hamiltonian structure manipulation
A. Donovan, V. Beltrani, H. Rabitz
Phys. Chem. Chem. Phys., Vol: 13, No: 16 , published: 29 April 2011
Faddeev random-phase approximation for molecules
Matthias Degroote, Dimitri Van Neck, and Carlo Barbieri
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 27 April 2011
Fock-state view of weak-value measurements and implementation with photons and atomic ensembles
Christoph Simon and Eugene S. Polzik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 25 April 2011
Progress at the interface of wave-function and density-functional theories
Nikitas I. Gidopoulos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 25 April 2011
Calculation of parity nonconservation in neutral ytterbium
V. A. Dzuba and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 22 April 2011
Precision spectroscopy of the 207Pb19F molecule: Implications for measurement of P-odd and T-odd effects
Lukas D. Alphei, Jens-Uwe Grabow, A. N. Petrov, Richard Mawhorter, Benjamin Murphy, Alexander Baum, Trevor J. Sears, T. Zh. Yang, P. M. Rupasinghe, C. P. McRaven, and N. E. Shafer-Ray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 21 April 2011
Proton-structure corrections to hyperfine splitting in muonic hydrogen
Carl E. Carlson, Vahagn Nazaryan, and Keith Griffioen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 19 April 2011
Gerade-ungerade mixing in the hydrogen molecule
Krzysztof Pachucki and Jacek Komasa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 19 April 2011
Blackbody-radiation correction to the polarizability of helium
M. Puchalski, U. D. Jentschura, and P. J. Mohr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 18 April 2011
Atomic calculations for tests of fundamental physics
M.S. Safronova
Can. J. Phys., Vol: 89, No: 4 , published: 15 April 2011
Hyperfine quenching: review of experiment and theory
W.R. Johnson
Can. J. Phys., Vol: 89, No: 4 , published: 15 April 2011
On the interpretation of complex atomic spectra by means of the parametric Racah–Slater method and Cowan codes
Jean-François Wyart
Can. J. Phys., Vol: 89, No: 4 , published: 15 April 2011
Excitation energies, E1, M1, and E2 transition rates, and lifetimes in Ca+, Sr+, Cd+, Ba+, and Hg+
U.I. Safronova, M.S. Safronova
Can. J. Phys., Vol: 89, No: 4 , published: 15 April 2011
Hyperfine quenching of the metastable 4s4p 3P0 and 3P2 states of Zn-like ions
M.H. Chen, K.T. Cheng
Can. J. Phys., Vol: 89, No: 4 , published: 15 April 2011
Atomic electric dipole moment induced by the nuclear electric dipole moment: The magnetic moment effect
S. G. Porsev, J. S. M. Ginges, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 14 April 2011
Electron Conductivity in Modified Models of Artificial Metal–DNA Using Green’s Function-Based Elastic Scattering Theory
Yasuyuki Nakanishi, Toru Matsui, Yasutaka Kitagawa, Yasuteru Shigeta, Toru Saito, Yusuke Kataoka, Takashi Kawakami, Mitsutaka Okumura and Kizashi Yamaguchi
Bull. Chem. Soc. Jpn., Vol: 84, No: 4 , published: 13 April 2011
Photoassociation of a cold-atom-molecule pair. II. Second-order perturbation approach
M. Lepers, R. Vexiau, N. Bouloufa, O. Dulieu, and V. Kokoouline
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 12 April 2011
Predicting and verifying transition strengths from weakly bound molecules
K. Aikawa, D. Akamatsu, M. Hayashi, J. Kobayashi, M. Ueda, and S. Inouye
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 11 April 2011
Probing dissociative molecular dications by mapping vibrational wave functions
R. Püttner, T. Arion, M. Förstel, T. Lischke, M. Mucke, V. Sekushin, G. Kaindl, A. M. Bradshaw, and U. Hergenhahn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 08 April 2011
Breakup of the aligned H2 molecule by xuv laser pulses: A time-dependent treatment in prolate spheroidal coordinates
Xiaoxu Guan, Klaus Bartschat, and Barry I. Schneider
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 06 April 2011
Vibrational Feshbach resonances in near-threshold HOCO- photodetachment: A theoretical study
S. Miyabe, D. J. Haxton, K. V. Lawler, A. E. Orel, C. W. McCurdy, and T. N. Rescigno
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 01 April 2011
Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls
Tiana Davide, Francisco E., Blanco M. A., et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 11 , published: 18 March 2011
Exploring dynamical electron theory beyond the Born–Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field
Takatsuka Kazuo, Yonehara Takehiro
Phys. Chem. Chem. Phys., Vol: 13, No: 11 , published: 18 March 2011
Controlling the sense of molecular rotation: Classical versus quantum analysis
Yuri Khodorkovsky, Kenta Kitano, Hirokazu Hasegawa, Yasuhiro Ohshima, and Ilya Sh. Averbukh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 28 February 2011
Stark resonances of the Yukawa potential: Energies and widths, crossings and avoided crossings
Mariusz Pawlak and Mirosław Bylicki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 25 February 2011
Influence of phase matching on the Cooper minimum in Ar high-order harmonic spectra
J. P. Farrell, L. S. Spector, B. K. McFarland, P. H. Bucksbaum, M. Gühr, M. B. Gaarde, and K. J. Schafer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 25 February 2011
Multilayer cyclic C6 structures intercalated with metal atoms
Stanislav Kuzmin and Walter W. Duley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 24 February 2011
Intensity-dependent interference effect in high-order harmonic generation from aligned H2 + molecules
Yan Wu, Jingtao Zhang, Huiliang Ye, and Zhizhan Xu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 22 February 2011
Further solutions to Schrödinger's equation for the helium atom
Christopher S. Withers, Saralees Nadarajah
Rep. Math. Phys., Vol: 67, No: 1 , published: 20 February 2011
Intracule functional models. V. Recurrence relations for two-electron integrals in position and momentum space
Joshua W. Hollett, Peter M. W. Gill
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
Breit interaction in dielectronic recombination of hydrogenlike uranium
D. Bernhardt, C. Brandau, Z. Harman, C. Kozhuharov, A. Müller, W. Scheid, S. Schippers, E. W. Schmidt, D. Yu, A. N. Artemyev, I. I. Tupitsyn, S. Böhm, F. Bosch, F. J. Currell, B. Franzke, A. Gumberidze, J. Jacobi, P. H. Mokler, F. Nolden, U. Spillman, Z. Stachura, M. Steck, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 18 February 2011
Structure sensitivity of double inner-shell holes in sulfur-containing molecules
P. Linusson, O. Takahashi, K. Ueda, J. H. D. Eland, and R. Feifel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 18 February 2011
Accounting for electronic polarization in non-polarizable force fields
gor Leontyev, Alexei Stuchebrukhov
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
The ab initio calculation of molecular electric, magnetic and geometric properties
Radovan Bast, Ulf Ekström, Bin Gao et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
Bound states of the positron with nitrile species with a configuration interaction multi-component molecular orbital approach
Masanori Tachikawa, Yukiumi Kita, Robert J. Buenker
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
Electronic structure calculations of low-lying electronic states of O3
Huixian Han, Bingbing Suo, Daiqian Xie et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
Translation-rotation energy levels of one H2 molecule inside the small, medium and large cages of the structure H clathrate hydrate
Álvaro Valdés, Geert-Jan Kroes
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
Correlated-Gaussian calculations of the ground and low-lying excited states of the boron atom
Sergiy Bubin and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 16 February 2011
Detecting multipartite classical states and their resemblances
Lin Chen, Eric Chitambar, Kavan Modi, and Giovanni Vacanti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 15 February 2011
Determination of molecular hyperfine-structure constant using the second-order relativistic many-body perturbation theory
Malaya K. Nayak and Rajat K. Chaudhuri
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 14 February 2011
Electromagnetic vacuum of complex media: Dipole emission versus light propagation, vacuum energy, and local field factors
M. Donaire
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 08 February 2011
Reexamination of relaxation of spins due to a magnetic field gradient: Identity of the Redfield and Torrey theories
R. Golub, Ryan M. Rohm, and C. M. Swank
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 03 February 2011
Collectivity of plasmonic excitations in small sodium clusters with ring and linear structures
Tomokazu Yasuike, Katsuyuki Nobusada, and Michitoshi Hayashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 31 January 2011
Accurate transition rates for intercombination lines of singly ionized nitrogen
S. S. Tayal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 26 January 2011
Nonperturbative computation of the time-resolved formation of the profile of autoionizing states as a function of the intensity and duration of ultrashort pulses
Th. Mercouris, Y. Komninos, and C. A. Nicolaides
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 24 January 2011
Quantum-information analysis of electronic states of different molecular structures
G. Barcza, Ö. Legeza, K. H. Marti, and M. Reiher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 14 January 2011
Nuclear-size correction to the Lamb shift of one-electron atoms
Vladimir A. Yerokhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 13 January 2011
Transfer ionization in fast ion-atom collisions: Four-body Born distorted-wave theory
Dževad Belkić and Ivan ManÄ?ev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 13 January 2011
Quantum interference in a four-level system of a 87Rb atom: Effects of spontaneously generated coherence
Dongsheng Wang (王东�) and Yujun Zheng (郑雨军)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 11 January 2011
Lower Rydberg 2D states of the lithium atom: Finite-nuclear-mass calculations with explicitly correlated Gaussian functions
Keeper L. Sharkey, Sergiy Bubin, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 10 January 2011
Fock-space relativistic coupled-cluster calculations of two-valence atoms
B. K. Mani and D. Angom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 07 January 2011
S-matrix calculations of energy levels of the lithium isoelectronic sequence
J. Sapirstein and K. T. Cheng (鄭國錚)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 07 January 2011
Fe15+ dielectronic recombination and the effects of configuration interaction between resonances with different captured electron principal quantum numbers
Duck-Hee Kwon and Daniel Wolf Savin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 07 January 2011
Holstein–Peirls–Hubbard trimer as a model for quadrupolar two-photon absorbing dyes
Robertino Pilot, Renato Bozio
Phys. Chem. Chem. Phys., Vol: 13, No: 1 , published: 07 January 2011
Empty level structure of boryl-substituted pentacyclic heteroaromatics
Alberto Modell, Derek Jones
Phys. Chem. Chem. Phys., Vol: 13, No: 1 , published: 07 January 2011
Solvation structure of coronene–transition metal complex: a RISM-SCF study
Hirofumi Sato, Chisa Kikumori, Shigeyoshi Sakaki
Phys. Chem. Chem. Phys., Vol: 13, No: 1 , published: 07 January 2011
Determination of a silane intermolecular force field potential model from an ab initio calculation
Arvin Huang-Te Li, Sheng D. Chao, and Chien-Cheng Chang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 29 December 2010
Adiabatic hyperspherical study of weakly bound helium–helium–alkali-metal triatomic systems
Hiroya Suno and B. D. Esry
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 29 December 2010
Confinement-induced p-wave resonances from s-wave interactions
Yusuke Nishida and Shina Tan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 27 December 2010
Discrimination of the effects of saturation and optical pumping in velocity-dependent pump-probe spectroscopy of rubidium: A simple analytical study
Heung-Ryoul Noh, Geol Moon, and Wonho Jhe
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 27 December 2010
Scattering amplitude of ultracold atoms near the p-wave magnetic Feshbach resonance
Peng Zhang, Pascal Naidon, and Masahito Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 23 December 2010
Hyperfine-mediated static polarizabilities of monovalent atoms and ions
V. A. Dzuba, V. V. Flambaum, K. Beloy, and A. Derevianko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 20 December 2010
Dirac-Hartree-Fock perturbation calculation of magnetic Shielding using the external field-dependent restricted magnetic balance condition
Hamaya S./Fukui H.
Bull. Chem. Soc. Jpn., Vol: 83, No: 6 , published: 16 December 2010
A hybrid data base: quantum chemistry literature data base. II. New concept and new methodology
Takano K./Koga N./Matsushita T./et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 6 , published: 16 December 2010
Nonadiabatic couplings from the Kohn-Sham derivative matrix: Formulation by time-dependent density-functional theory and evaluation in the pseudopotential framework
Chunping Hu, Osamu Sugino, Hirotoshi Hirai, and Yoshitaka Tateyama
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 10 December 2010
Матричный метод для моделирования туннельного переноса
Федирко В.А./Поляков С.В./Зенюк Д.А.
Мат. моделир., Vol: 22, No: 5 , published: 10 December 2010
Symmetry breaking in the cyclic C3C2H radical
Benjamin Mintz, T. Daniel Crawford
Phys. Chem. Chem. Phys., Vol: 12, No: 47 , published: 10 December 2010
Quantifying the symmetry content of the electronic structure of molecules: molecular orbitals and the wave function
David Casanova, Pere Alemany
Phys. Chem. Chem. Phys., Vol: 12, No: 47 , published: 10 December 2010
Quantum electrodynamic corrections for the valence shell in heavy many-electron atoms
C. Thierfelder and P. Schwerdtfeger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 06 December 2010
Ground-state configurations and unresolved transition arrays in extreme ultraviolet spectra of lanthanide ions
D. Kilbane and G. O’Sullivan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 06 December 2010
Квазиклассические спектральные серии оператора Шредингера с дельта-потенциалом на прямой и на сфере
Филатова Т.А./Шафаревич А.И.
Теор. и мат. физ., Vol: 164, No: 2 , published: 06 December 2010
Квантовохимическое исследование транс-влияния в линейных комплексах золота(I)
Соколов А.Ю./Сизова О.В.
Ж. общ. химии, Vol: 80, No: 7 , published: 03 December 2010
Strong 3p-T1u hybridization in Ar@C60
M. Morscher, A. P. Seitsonen, S. Ito, H. Takagi, N. Dragoe, and T. Greber
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 29 November 2010
Shifts from a distant neighboring resonance
M. Horbatsch and E. A. Hessels
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 24 November 2010
Electrodynamics of finite-size particles with arbitrary spin
Jacek Zatorski and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 24 November 2010
Laser-cooled RaF as a promising candidate to measure molecular parity violation
T. A. Isaev, S. Hoekstra, and R. Berger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 24 November 2010
Компьютерное моделирование электронной оболочки атома гелия методом интегралов по траекториям Фейнмана
Шевкунов С. В.
Мат. моделир., Vol: 22, No: 11 , published: 23 November 2010
Numerical solution of the Hartree-Fock equation in molecular geometries
James D. Talman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 23 November 2010
A density functional theory approach to noncovalent interactions via interacting monomer densities
Łukasz Rajchel, Piotr S. Żuchowski, Michał Hapka et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 44 , published: 19 November 2010
Enhancement and suppression of tunneling by controlling symmetries of a potential barrier
Denys I. Bondar, Wing-Ki Liu, and Misha Yu. Ivanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 15 November 2010
Optimizing the resolution of the alternating-gradient m/μ selector
Frank Filsinger, Stephan Putzke, Henrik Haak, Gerard Meijer, and Jochen Küpper
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 15 November 2010
О возможности наблюдения неадиабатических переходов атомов в лазерном поле и их применения в нанолитографии
С. В. Пранц
Письма в ЖЭТФ, Vol: 92, No: 11 , published: 14 November 2010
Stark-tuned Förster resonance and dipole blockade for two to five cold Rydberg atoms: Monte Carlo simulations for various spatial configurations
I. I. Ryabtsev, D. B. Tretyakov, I. I. Beterov, V. M. Entin, and E. A. Yakshina
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 09 November 2010
Time-averaged quantum dynamics and the validity of the effective Hamiltonian model
Omar Gamel and Daniel F. V. James
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 08 November 2010
Quantum interference due to energy shifts and its effect on spontaneous emission
Zheng-Hong Li, Da-Wei Wang, Hang Zheng, Shi-Yao Zhu, and M. Suhail Zubairy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 03 November 2010
Combining density-functional theory and density-matrix-functional theory
Daniel R. Rohr, Julien Toulouse, and Katarzyna Pernal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 01 November 2010
New basis sets for the evaluation of interaction energies: an ab initio study of the He–He, Ne–Ne, Ar–Ar, He–Ne, He–Ar and Ne–Ar van der Waals complex internuclear potentials and ro-vibrational spectra
Angelika Baranowska, Silvia Bouzón Capelo, Berta Fernández
Phys. Chem. Chem. Phys., Vol: 12, No: 41 , published: 29 October 2010
Modulation of iridium(III) phosphorescence via photochromic ligands: a density functional theory study
Xin Li, Qiong Zhang, Yaoquan Tu, Hans Ågren et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 41 , published: 29 October 2010
Trends in MH2n+ ion–quadrupole complexes (M = Li, Be, Na, Mg, K, Ca; n = 1, 2) using ab initio methods
Alister J. Page, David J. D. Wilson, et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 41 , published: 29 October 2010
The electron density vs. NICS scan: a new approach to assess aromaticity in molecules with different ring sizes
Cina Foroutan-Nejad, Shant Shahbazian, Parviz Rashidi-Ranjbar
Phys. Chem. Chem. Phys., Vol: 12, No: 39 , published: 15 October 2010
Density functional approximations for charge transfer excitations with intermediate spatial overlap
Ruifang Li, Jingjing Zheng, Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 12, No: 39 , published: 15 October 2010
An additive long-range potential to correct for the charge-transfer failure of time-dependent density functional theory
Dreuw A./Pl~:otner J./Wormit M./et al.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Density-functional theory with orbital-dependent functionals: exact-exchange Kohn-Sham and density-functional response methods
G~:orling A./Ipatov A./G~:otz A.W./Hesselmann A.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Electron structure quantum Monte Carlo
L~:ochow A./Petz R./Schwarz A.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Recent advances in explicitly correlated coupled-cluster response theory for excited states and optical properties
Yang J./H~:attig C.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
A quasirelativistic two-component density functional and Hartree-Fock program
van W~:ullen C.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Orbital-dependent representation of correlation energy functional
Jiang H./Engel E.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Coupling of short-range density-functional with long-range Post-Hartree-Fock methods
Goll E./Werner H.-J./Stoll H.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Benchmark studies for explicitly correlated perturbation- and coupled cluster theories
Werner H.-J./Knizia G./Adler T.B./Marchetti O.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Fully automated implementation of the incremental scheme for correlation energies
Friedrich J./Hanrath M./Dolg M.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Local time-dependent coupled cluster response for properties of excited states in large molecules
Kats D./Sch~:utz M.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Analytic calculation of first-order molecular properties at the explicitly-correlated second-order Moller-Plesset level
H~:ofener S./H~:attig C./Klopper W.
Z. phys. Chem., Vol: 224, No: 3-4 , published: 13 October 2010
Анализ энергетики нагружаемого квантового ангармонического осциллятора в широкой области температур
Гиляров В.Л./Слуцкер А.И.
Ж. техн. физ., Vol: 80, No: 5 , published: 08 October 2010
Диффузия Арнольда в системе с 2.5 степенями свободы: классической и квантово-механический подходы
Малышев А.И./Чижова Л.А.
Ж. эксперим. и теор. физ., Vol: 137, No: 5 , published: 08 October 2010
Time-dependent density functional theory calculations of the spectroscopy of core electrons
Nicholas A. Besley, Frans A. Asmuruf
Phys. Chem. Chem. Phys., Vol: 12, No: 38 , published: 08 October 2010
Calculation of local spins for correlated wave functions
Mayer I./Matito E.
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
A theoretical study on the spectroscopy and the radiative and non-radiative relaxation rate constants of the S01A1—S11A2 vibronic transitions of romaldehyde
Lin Chih-Kai/Li Ming-Chung/Yamaki Masahiro/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
Условная матрица плотности: перепутанные состояния в представлении Гейзенберга
Тимофеевская О.Д.
Вестн. МГУ. Сер. 3, Vol: 2010, No: 2 , published: 29 September 2010
Ангармоническая задача без ангармонического потенциала
Грибов Л.А.
Ж. структур. химии, Vol: 51, No: 2 , published: 24 September 2010
Экспоненциально затухающие операторы для гармонического осциллятора, линейно связанного с термостатом
Глебов И.О./Еремин В.В.
Теор. и мат. физ., Vol: 162, No: 2 , published: 15 September 2010
Calculation of One-Electron Multicenter Integrals of Slater Type Orbitals and Coulomb–Yukawa Like Correlated Interaction Potentials with Integer and Noninteger Indices Using Unsymmetrical One-Range Addition Theorems
I. I. Guseinov, B. A. Mamedov
Bull. Chem. Soc. Jpn., Vol: 83, No: 9 , published: 15 September 2010
Инверсия населенностей на колебательных переходах молекул при нерезонансном оптическом возбуждении
Пархоменко А.И./Шалагин А.М.
Ж. эксперим. и теор. физ., Vol: 138, No: 3 , published: 14 September 2010
Atomic ionization as a sudden perturbation of an electron by the charge of a projectile
Feoktistov O.I.
Укр. фiз. ж., Vol: 55, No: 2 , published: 10 September 2010
Обращение времени для модифицированных осцилляторов
Кордеро-Сото Р./Суслов С.К.
Теор. и мат. физ., Vol: 162, No: 3 , published: 10 September 2010
Об оценках потенциала взаимодействия между двумя атомами
Малышев В.А./Минлос Р.А.
Теор. и мат. физ., Vol: 162, No: 3 , published: 10 September 2010
Оценка снизу спектра двумерного оператора Шредингера с _d-потенциалом на кривой
Лобанов И.С./Лоторейчик В.Ю./Попов И.Ю.
Теор. и мат. физ., Vol: 162, No: 3 , published: 10 September 2010
Переменная действия и частота релятивистского гармонического осциллятора
Баласубраманья М.К.
Теор. и мат. физ., Vol: 162, No: 3 , published: 10 September 2010
Потенциальные энергии квазимолекулы Na{**}+He
Голубков Г.В./Голубков М.Г.
Хим. физ., Vol: 29, No: 3 , published: 07 September 2010
Расчет статистических сумм внутреннего вращения молекул
Стрекалов М.Л.
Хим. физ., Vol: 29, No: 3 , published: 07 September 2010
Spin-component scaled coupled-clusters singles and doubles optimized towards calculation of noncovalent interactions
Pitonak Michal, Rezac Jan, Hobza Pavel
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 September 2010
The effect of N-ligands on the geometry, bonding, and electronic absorption properties of ruthenium carbonyl chains
Niskanen Mika, Hirva Pipsa, Haukka Matti
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 September 2010
Асимптотика дискретного спектра одного модельного оператора, ассоциированного с системой трех частиц на решетке
Расулов Т.Х.
Теор. и мат. физ., Vol: 163, No: 1 , published: 01 September 2010
Возбуждение осциллятора Морзе сверхкоротким чирпированным импульсом
Астапенко В.А./Ромадоновский М.С.
Ж. эксперим. и теор. физ., Vol: 137, No: 3 , published: 31 August 2010
Ионизация атомов в сильном низкочастотном электромагнитном поле
Крайнов В.П.
Ж. эксперим. и теор. физ., Vol: 138, No: 2 , published: 30 August 2010
Exast solutions of a particle in a box with a delta function potential:the factorization method
Pedram P./Vahabi M.
Am. J. Phys , Vol: 78, No: 8 , published: 06 August 2010
Steering quantum states toward classical Bohr-like orbits
Dunning F.B./Reinhold C.O./Yoshida S./Burgdorfer J.
Am. J. Phys , Vol: 78, No: 8 , published: 06 August 2010
The equipartition theorem revisited
Mello P.A./Rodriguez R.F.
Am. J. Phys , Vol: 78, No: 8 , published: 06 August 2010
The step-harmanic potential
Rizzi L./Piatella O.F./Cacciaton S.L./Gorini V.
Am. J. Phys , Vol: 78, No: 8 , published: 06 August 2010
Метод расчета уровней энергии нанообъектов с периодической структурой скелета
Грибов Л.А.
Ж. структур. химии, Vol: 51, No: 1 , published: 05 August 2010
Многоконфигурационный метод Хартри-Фока: прямая диагонализация при построении многоэлектронного базиса
Лицарев М.С., Иванов О.В.
Ж. эксперим. и теор. физ., Vol: 138, No: 1 , published: 30 July 2010
Valence bond all the way: from the degenerate H-excahnge to cytochrome P450
Shaik Sason
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
О разрушающей способности флуоресцентной спектроскопии в ультратонких газовых ячейках
Измайлов А.Ч.
Оптика и спектроскопия, Vol: 109, No: 5 , published: 21 July 2010
Уширение давлением сверхтонких компонент вращательных переходов молекулы метилцианида
Черкасов М.Р.
Оптика и спектроскопия, Vol: 109, No: 5 , published: 21 July 2010
Vibration—rotation-tunneling states of the benzene dimer: an ab initio study
van der Avoird Ad/Podeszwa Rafal/Szalewicz Krysztof/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
On the efficiency of treating singularities in triatomic variational vibrational computations. The vibrational states of H3+ up to dissociation
Szidarovszky Tamas/Csaszar Attila G./Czako Gabor
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Theoretical rotation—torsion spectra of HSOH
Yachemenev Andrey/Yurcehniko Sergei N./Jensen Per/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Torsional energy levels of nitirc acid in reduced and full dimensionality with ELVIBROT and TNUM
Lauvergnat David/Nauts Andre
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Ring-puckering motion in cyclopentene studied by time-resolved rotational coherence spectroscopy and ab initio calculations
Kunitski Makskim/Knippenberg Stefan/Gelin Maxim/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Analysis of the FASSST rotational spectrum of NCNCS in view of quantum monodromy
Winnwewisser Brenda P./Winnewisser Manfred/Medvedev Ivan R./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Extended Forster theory: a quantitative approach to the determination of inter-chromophore distances in biomacromolecules
Opanasyuk Oleg/Johansson Lennart B.-A.
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 09 July 2010
Electronic energy transfer

Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Quantum coherence and its interplay with protein environments in photosynthetic electronic energy transfer
Ishizaki Akihito/Calohoun Tessa R./Schlau-Cohen Gabriela S./Fleming Graham R.
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Excitation energy transfer in donor-bridge-acceptor systems
Albinsson Bo/Martensson Jerker
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Superexchange-mediated electronic energy transfer in a model dyad
Curutchet Carles/Feist Florian A./Van Averbeke Bernard/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Physical origins and models of energy transfer in photosynthetic light-harvesting
Novoderezhkin Vladimir I./van Grondelle Rienk
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Conformational dependence of the electronic coupling for singlet excitation energy transfer in DNA. An INDO/S study
Voityuk Alexander A.
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
On the conveyance of angular momentum in electronic energy transfer
Andrews David L.
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Isotopic effect and temperature dependent intramolecular excitation energy transfer in a model donor-acceptor dyad
Singh Jaykrishna/Bittner Eric R.
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Theoretical study of the structural and electronic properties of the Fen(C6H6)m, n ≤ 2; m ≤ 2 complexes
Valencia Israel/Castro Miguel
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Study of the interaction between short alkanethiols from ab initio calculations
Solano Canchaya J.G./Wang Y./Alcami M./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Поправка на конечный размер ядра к вакуумной поляризации в водородподобных ионах
Бондарев А.И./Кожедуб Ю.С./Орешкина Н.С.
Оптика и спектроскопия, Vol: 109, No: 6 , published: 29 June 2010
Деполяризация излучения при когерентном возбуждении
Петрашень А.Г.
Оптика и спектроскопия, Vol: 109, No: 6 , published: 29 June 2010
Классификация состояний нежестких молекулярных систем с непрерывными аксиальными группами симметрии
Буренин А.В.
Оптика и спектроскопия, Vol: 109, No: 6 , published: 29 June 2010
О структуре уравнений метода оптимизированного эффективного потенциала
Глушков В.Н./Фесенко С.И.
Оптика и спектроскопия, Vol: 108, No: 6 , published: 22 June 2010
Properties of harmonium atoms from FCI calculations: calibration and bechmarks for the ground state of the two-electron species
Matito Eduard/Cioslowski Jerzy/Vyboishchikov Sergei F.
Phys. Chem. Chem. Phys., Vol: 12, No: 25 , published: 18 June 2010
Применение комбинационного рассеяния для исследования анизотропии ансамблей молекул
Красильников М.Б./Рождественский О.И./Смолин А.Г./Васютинский О.С.
Оптика и спектроскопия, Vol: 109, No: 4 , published: 15 June 2010
The chain of classical anharmonic oscillators in an external field
Victor Bârsan
Rom. Rep. Phys., Vol: 62, No: 2 , published: 04 June 2010
Formulations of the closed-shell interactions in endohedral systems
Cong Wang, Michal Straka and Pekka Pyykkö
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Розрахунки зв'язаних станiв у стохастичному варiацiйному методi з несиметризованими базисами
Сименог I.В., Кузьменко М.В., Хряпа В.М.
Укр. фiз. ж., Vol: 55, No: 11 , published: 31 May 2010
Iterative soltuion of non-autonomous Bloch equations: fluorescence spectrum with detuned squeezed vacuum field
Batarfi H.A., Al-Harbi R.A., Saunders R., Hassan S.S.
Can. J. Phys., Vol: 88, No: 7 , published: 25 May 2010
Advances in high brilliance energy dispersive X-ray absorption spectroscopy 
Sakura Pascarelli and Olivier Mathon
Phys. Chem. Chem. Phys., Vol: 12, No: 21 , published: 21 May 2010
CrRb: A molecule with large magnetic and electric dipole moments
Z. Pavlović, H. R. Sadeghpour, R. Côté, and B. O. Roos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 21 May 2010
Parameter-free calculations of X-ray spectra with FEFF9
Rehr John J., Kas Joshua J., Vila Fernando D. et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 21 , published: 21 May 2010
Ground state of two electrons on concentric spheres
Pierre-François Loos and Peter M. W. Gill
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 19 May 2010
Applications of four-body exponentially correlated functions
Mariusz Puchalski and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 17 May 2010
Relativistic many-body calculation of energies, lifetimes, hyperfine constants, multipole polarizabilities, and blackbody radiation shift in 137Ba ii
U. I. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 17 May 2010
The chemical roots of the matching polynomial
Chauvin Remi/Lepetit Christine/Fowler Patrick W./Malrieu Jean-Paul
Phys. Chem. Chem. Phys., Vol: 12, No: 20 , published: 14 May 2010
Hybrid orbital and numerical grid representation for electronic continuum processes: Double photoionization of atomic beryllium
F. L. Yip, C. W. McCurdy, and T. N. Rescigno
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 13 May 2010
Monte Carlo wave packet approach to dissociative multiple ionization in diatomic molecules
Henriette Astrup Leth, Lars Bojer Madsen, and Klaus Mølmer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 13 May 2010
Dissociative double ionization of H2 and D2: Comparison between experiment and Monte Carlo wave packet calculations
Henriette Astrup Leth, Lars Bojer Madsen, and Klaus Mølmer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 13 May 2010
Application of high level wavefunction methods in quantum mechanics/molecular mehcanics hybrid schemes
Mata Ricardo A.
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Multireference perturbation theory can predict a false ground state
Camacho Cristopher/Cimiraglia Renzo/Witek Henryk A.
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Generalized Rashba-Dresselhaus spin-orbit coupling for cold atoms
Gediminas Juzeliūnas, Julius Ruseckas, and Jean Dalibard
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 5 , published: 06 May 2010
Подавление шума в атомной системе под действием поля в сжатом когерентном состоянии
Гельман А.И./Миронов В.А.
Ж. эксперим. и теор. физ., Vol: 137, No: 4 , published: 22 April 2010
Results and perspectives of the MO—VB method. Application examplex on the He2 and the LiH—He complexes
Cagnoni Fausto/Raimondi Mario
Phys. Chem. Chem. Phys., Vol: 12, No: 16 , published: 16 April 2010
Построение минимизирующей последовательности многочастичных функций для расчета спектра атома
Орел С.М.
Оптика и спектроскопия, Vol: 108, No: 4 , published: 01 April 2010
Влияние пролетных эффектов на оптические резонансы в разнесенных во времени полях
Титов Е.А.
Оптика и спектроскопия, Vol: 108, No: 4 , published: 01 April 2010
Применение квантово-механического метода к анализу распределения интенсивностей в спектрах резонансного гиперкомбинационного рассеяния низкосимметричных молекул
Бурова Т.Г./Анашкин А.А.
Оптика и спектроскопия, Vol: 108, No: 4 , published: 01 April 2010
Описание торсионного движения в изотопически несимметричных ионных комплексах ArH2D+ и ArD2H+
Буренин А.В.
Оптика и спектроскопия, Vol: 108, No: 4 , published: 01 April 2010
Расчет коэффициентов столкновительного уширения спектральных линий озона давлением атмосферных газов
Булдырева Ж.В./Мишина Т.П./Лаврентьева Н.Н./Осипова А.С.
Оптика и спектроскопия, Vol: 108, No: 4 , published: 01 April 2010
Typicality in random matrix product states
Silvano Garnerone, Thiago R. de Oliveira, and Paolo Zanardi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 29 March 2010
Carbon and proton shielding tensors in methyl halides
Kantola Anu M./Lantto Perttu/Vaara Juha/Jokisaari Jukka
Phys. Chem. Chem. Phys., Vol: 12, No: 11 , published: 12 March 2010
Theoretical study of electronic structures of [(H2O)3(O-)Mn(μ-oxo)2Mn(OH2)4]q+ (q=2 or 3) with Mn—O bond
Katsuda Masashi/Hishikawa Erika/Mitani Masaki/Yoshioka Yasunori
Phys. Chem. Chem. Phys., Vol: 12, No: 11 , published: 12 March 2010
Finite nuclear mass corrections to electric and magnetic interactions in diatomic molecules
Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 08 March 2010
Проблема совместимости уравнений состояния и новый метод их термодинамического согласования
Николаев П.Н.
Вестн. МГУ. Сер. 3, Vol: 2010, No: 3 , published: 06 March 2010
Multipartite entanglement measures and quantum criticality from matrix and tensor product states
Ching-Yu Huang and Feng-Li Lin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 05 March 2010
Duschinsky mixing between four non-totally symmetric normal coordinates in the S1—S0 vibronic structure of (E)-phenylvinylacetylene: a quantitavie analysis
Christian W. Müller, Josh J. Newby, Ching-Ping Liu, Chirantha P. Rodrigo and Timothy S. Zwier


Phys. Chem. Chem. Phys., Vol: 12, No: 10 , published: 05 March 2010
Transition energies of neutral and single ionized lanthanum
Betül Karaçoban, Leyla Özdemir
Indian J. Phys., Vol: 84, No: 3 , published: 01 March 2010
Rubidium pump-probe spectroscopy: Comparison between ab initio theory and experiment
M. Himsworth and T. Freegarde
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 26 February 2010
Efficient grid-based method in nonequilibrium Green’s function calculations: Application to model atoms and molecules
K. Balzer, S. Bauch, and M. Bonitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 25 February 2010
Correlation, relativistic, and quantum electrodynamics effects on the atomic structure of eka-thorium
Gediminas Gaigalas, Erikas Gaidamauskas, Zenonas Rudzikas, Nicola Magnani, and Roberto Caciuffo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 22 February 2010
Radiative-nonrecoil corrections of order α2(Zα)5 to the Lamb shift
Matthew Dowling, Jorge Mondéjar, Jan H. Piclum, and Andrzej Czarnecki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 22 February 2010
Ионизация атомов иттербия из возбужденного состояния
Елизаров А.Ю./Тупицын И.И.
Ж. эксперим. и теор. физ., Vol: 137, No: 6 , published: 22 February 2010
Особенности эффекта когерентного пленения населенностей в многоуровневых системах при использовании его в плазменной магнитометрии
Вдовин В.В./Токман М.Д.
Ж. эксперим. и теор. физ., Vol: 137, No: 6 , published: 22 February 2010
Многофотонный вынужденный тормозной эффект для широких в импульсном представлении электронных волновых пакетов в поле ультракороткого лазерного импульса
Буренков И.А./Тихонова О.В.
Ж. эксперим. и теор. физ., Vol: 137, No: 6 , published: 22 February 2010
Атомно-фотонный кластер как элементарный излучатель
Башаров А.М.
Ж. эксперим. и теор. физ., Vol: 137, No: 6 , published: 22 February 2010
О значении приближения Борна-Оппенгеймера во внутримолекулярной динамике
Буренин А.В.
Успехи физ. наук, Vol: 180, No: 7 , published: 21 February 2010
Поверхнi потенцiальноi енергii основного та збуджених станiв молекули {11}BH у мультиреференснiй теорii зв'язаних кластерiв
Клiменко Т.О./Iванов В.В./Лях Д.I.
Укр. фiз. ж., Vol: 55, No: 6 , published: 17 February 2010
Фотохимия начала XXI века: смена парадигмы
Барановский В.И.
Ж. общ. химии, Vol: 80, No: 8 , published: 17 February 2010
Стереоэлектронное строение _g-хлорпропилтрихлорастаннана по результатам расчетов ab initio
Фешин В.П./Фешина Е.В.
Ж. общ. химии, Vol: 80, No: 8 , published: 17 February 2010
Partial Fourier-transform approach to tunnel ionization: Atomic systems
Ryan Murray, Wing-Ki Liu, and Misha Yu. Ivanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 16 February 2010
Недостаточная адекватность узловых поверхностей многоэлектронных волновых функций в приближении Хартри_-Фока
Чувылкин Н.Д./Смоленский Е.А./Зефиров Н.С.
Докл. РАН, Vol: 434, No: 3 , published: 15 February 2010
Possible Minkowskian language in two-level systems
Kim Y.S.
Оптика и спектроскопия, Vol: 108, No: 2 , published: 14 February 2010
О взаимной поляризации двух атомов He4
Локтев В.М./Томченко М.Д.
Доп. Нац. АН Украïни, Vol: 2010, No: 5 , published: 10 February 2010
Physical meaning of the natural orbitals: Analysis of exactly solvable models
N. Helbig, I. V. Tokatly, and A. Rubio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 09 February 2010
Quasibound states in two- and three-dimensional open quantum systems
Alex M. Barr and L. E. Reichl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 09 February 2010
Quantum tunneling and reflection of a molecule with a single bound state
Jeremy J. Kavka, Danielle Kerbrat, and Mark R. A. Shegelski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 09 February 2010
Расчет возбужденных состояний молекул при помощи метода теории функционала плотности с орбитально-зависимым неадиабатическим обменным ядром
Ипатов А.Н.
Ж. эксперим. и теор. физ., Vol: 137, No: 2 , published: 08 February 2010
Optical conversion of conical intersection to avoided crossing
Arasaki Yasuki/Takatsuka Kazuo
Phys. Chem. Chem. Phys., Vol: 12, No: 6 , published: 05 February 2010
Effects of valence-valence, core-valence, and core-core correlations on the fine-structure energy levels in Al-like ions
Liang-huan Hao, Gang Jiang, and Hai-jun Hou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 04 February 2010
Zeeman relaxation of magnetically trapped Eu atoms
Yury V. Suleimanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 2 , published: 03 February 2010
Simulating local measurements on a quantum many-body system with stochastic matrix product states
Søren Gammelmark and Klaus Mølmer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 29 January 2010
Adiabatic connection at negative coupling strengths
Michael Seidl and Paola Gori-Giorgi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 27 January 2010
Pauli potential in terms of kinetic energy density and electron density in the leading Coulombic term of the nonrelativistic 1/Z expansion of spherical atomic ions
N. H. March and Ã?. Nagy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 25 January 2010
Maximally entangled states via mutual unbiased collective bases
M. Revzen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 21 January 2010
Entanglement and parametric resonance in driven quantum systems
V. M. Bastidas, J. H. Reina, C. Emary, and T. Brandes
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 21 January 2010
Publisher’s Note: Hidden symmetry and nonlinear paraxial atom optics [Phys. Rev. A 80, 063617 (2009)]
François Impens
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 19 January 2010
Nonlinear hopping transport in ring systems and open channels
Mario Einax, Martin Körner, Philipp Maass and Abraham Nitzan
Phys. Chem. Chem. Phys., Vol: 12, No: 3 , published: 15 January 2010
Comment on “Full quantum reconstruction of vortex states�
João P. S. Bizarro
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 13 January 2010
Composite system in deformed space with minimal length
C. Quesne and V. M. Tkachuk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 12 January 2010
A new proof of the analyticity of the electronic density of molecules
Jecko T.
Lett. Math. Phys., Vol: 93, No: 1 , published: 09 January 2010
Reformulating time-dependent density functional thoery with non-orthogonal localized molecular orbitals
Cui Ganglong/Fang Weihai/Yang Weitao
Phys. Chem. Chem. Phys., Vol: 12, No: 2 , published: 08 January 2010
Взаимопревращение поляризаций на изолированном уровне в присутствии слабого электрического и магнитного полей
Петрашень А.Г.
Оптика и спектроскопия, Vol: 108, No: 1 , published: 07 January 2010
Квантово-механический анализ распределения интенсивностей в спектрах резонансного гиперкомбинационного рассеяния многоатомных молекул
Бурова Т.Г./Анашкин А.А.
Оптика и спектроскопия, Vol: 108, No: 1 , published: 07 January 2010
Approximations for the interparticle interaction energy in an exactly solvable two-electron model atom
I. Nagy and J. Pipek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 04 January 2010
Влияние поляризации встречных световых волн на нелинейные резонансы электромагнитно-индуцированных прозрачности и адсорбция в конфигурации Ханле
Бражников Д.В./Тайченачев А.В./Тумайкин А.М./и др.
Письма в ЖЭТФ, Vol: 91, No: 11-12 , published: 03 January 2010
Intrinsic decoherence in the interaction of two fields with a two-level atom
Juarez-Amaro R./Escudero-Jimenez J.L./Moya-Cessa H.
Ann. Phys., Vol: 18, No: 6 , published: 26 December 2009
Bounds on the ground state energy: application of the varitional principle
Bhattacharyya Bibhas
Am. J. Phys , Vol: 77, No: 1 , published: 24 December 2009
Многофотонная ионизация атомов и ионов интенсивным излучением рентгеновских лазеров
Попруженко С.В./Мур В.Д./Попов В.С./Бауэр Д.
Ж. эксперим. и теор. физ., Vol: 135, No: 6 , published: 24 December 2009
Порождение упорядоченности угловых моментов частиц в сильных электрических и магнитных полях
Петрашень А.Г.
Оптика и спектроскопия, Vol: 106, No: 5 , published: 24 December 2009
Параметры тонкой структуры высоковозбуждённых конфигураций np5n' g атомов неона и аргона
Анисимова Г.П., Долматова О.А., Ефремова Е.А., et al.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2009, No: 4 , published: 24 December 2009
Одно-, двух- и трёхфотонные переходы между 2s-, 2p- и 1s-уровнями для атомов водорода антиводорода во внешнем электрическом поле и без него
Соловьёв Д.А., Лабзовский Л.Н., Шарипов В.Ф.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2009, No: 4 , published: 24 December 2009
Инварианты динамики молекулярных колебательных волновых пакетов при фазовой модуляции
Бугаева М.С./Ветчинкин А.С.
Хим. физ., Vol: 28, No: 5 , published: 24 December 2009
Исследование ионизации молекулы водорода электронным ударом в приближении 1СВО с использованием двухцентровых молекулярных функций
Юрова И.Ю., Шевякина Н.К.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2009, No: 4 , published: 24 December 2009
Использование внутренних декартовых координат для описания молекулярных колебаний
Махиев А.С.
Ж. физ. химии, Vol: 83, No: 3 , published: 22 December 2009
Получение гамильтониана изотопозамещенной молекулы во внутренних декартовых координатах
Махнев А.С.
Ж. физ. химии, Vol: 83, No: 3 , published: 22 December 2009
Bound states and scattering lengths of three two-component particles with zero-range interactions under one-dimensional confinement
Kartavtsev O.I./Malykh A.V./Sofianos S.A.
Ж. эксперим. и теор. физ., Vol: 135, No: 3 , published: 21 December 2009
Избирательное управление состояниями многоуровневых квантовых систем с помощью неселективных операторов поворота
Зобов В.Е./Шауро В.П.
Ж. эксперим. и теор. физ., Vol: 135, No: 1 , published: 21 December 2009
Вероятности магнитодипольных запрещенных переходов в атоме водорода и водородоподобных ионах
Пучков А.М./Лабзовский Л.Н.
Оптика и спектроскопия, Vol: 106, No: 2 , published: 20 December 2009
Спектры при взаимодействии атомов с ультракороткими импульсами электромагнитного поля
Есеев М.К./Матвеев В.И./Абикулова Н.В.
Оптика и спектроскопия, Vol: 106, No: 2 , published: 20 December 2009
Лэмбовский сдвиг в атомах, взаимодействующих с интенсивным лазерным полем
Гайнутдинов Р.Х./Мутыгуллина А.А.
Изв. РАН. Сер. физ., Vol: 73, No: 2 , published: 16 December 2009
Optimal entanglement generation for efficient hybrid quantum repeaters
Koji Azuma, Naoya Sota, Ryo Namiki, Şahin Kaya Özdemir, Takashi Yamamoto, Masato Koashi, and Nobuyuki Imoto
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 15 December 2009
Test of a general symmetry-derived N -body wave function
Martin Dunn, W. Blake Laing, Derrick Toth, and Deborah K. Watson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 11 December 2009
Generalized reflection time for one-dimensional structures
Cheng Yin and Zhuangqi Cao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 09 December 2009
Structural change in multipartite entanglement sharing: A random matrix approach
G. Gennaro, S. Campbell, M. Paternostro, and G. M. Palma
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 08 December 2009
Задача на собственные значения для пучка операторов и метод штурмовских разложений в квантовой механике
Никитин С.И./Шерстюк А.И.
Оптика и спектроскопия, Vol: 106, No: 4 , published: 07 December 2009
Topological order following a quantum quench
Dimitris I. Tsomokos, Alioscia Hamma, Wen Zhang, Stephan Haas, and Rosario Fazio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 04 December 2009
О числе собственных значений двухчастичного дискретного оператора Шредингера
Лакаев С.Н./Халхужаев А.М.
Теор. и мат. физ., Vol: 158, No: 2 , published: 02 December 2009
О теории возмущений для асимметричного ангармонического осциллятора
Полуэктов Ю.М.
Изв. вузов. Физ., Vol: 52, No: 1 , published: 02 December 2009
Сжатые состояния в квазиклассическом случае
Алексеев П.С./Моросеев Ф.В.
Ж. эксперим. и теор. физ., Vol: 135, No: 4 , published: 01 December 2009
Метод расчета надпороговых многофотонных процессов в атомах: двухфотонная надпороговая ионизация
Манаков Н.Л./Мармо С.И./Свиридов С.А.
Ж. эксперим. и теор. физ., Vol: 135, No: 4 , published: 01 December 2009
Compact variational wave functions for bound states in three-electron atomic systems
Frolov A.M./Wardlaw D.M.
Ж. эксперим. и теор. физ., Vol: 135, No: 4 , published: 01 December 2009
A brief survey of the mathematics of quantum physics
Bohm Arno/Uncu Haydar/Komy S.
Rep. Math. Phys., Vol: 64, No: 1-2 , published: 30 November 2009
Charged three-body system with arbitrary masses near conformal invariance
A. Delfino, T. Frederico, and Lauro Tomio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 30 November 2009
Hamiltonization of nonholonomic systems and the inverse problem of the calculus of variations
Bloch A.M./Fernandez O.E./Mestdag T.
Rep. Math. Phys., Vol: 63, No: 2 , published: 30 November 2009
The essential and discrete spectrum of a model operator associated to a system of three identical quantum particles
Albeverio Sergio/Lakaev Saidakhmat/Djumanova Ramiza Kh.
Rep. Math. Phys., Vol: 63, No: 3 , published: 30 November 2009
Relation between the range of an elementary 3-particle 2-body operator and the convex structure of the set of fermion 3-representable 2-density operators
Grudzinski Hubert
Rep. Math. Phys., Vol: 63, No: 3 , published: 30 November 2009
Group-quantization of nonlinear sigma models: patricle on S{2} revisited
Aldaya V./Calixto M./Guerrero J./Lopez-Ruiz F.F.
Rep. Math. Phys., Vol: 64, No: 1-2 , published: 30 November 2009
Lie-semigroup structures for reachability and control of open quantum systems: Kossakowski-Lindbland generators form Lie wedge to Markovian channels
Dirr G./Helmke U./Kurniawan I./Schulte-Herbr~:uggen T.
Rep. Math. Phys., Vol: 64, No: 1-2 , published: 30 November 2009
On the geometry of the phase spaces of some SO(2, 1) invariant systems
Guerrero J./Lopez-Ruiz F.F./Galixto M./Aldaya V.
Rep. Math. Phys., Vol: 64, No: 1-2 , published: 30 November 2009
Неэмпирические квантово-химические расчеты энергии и структуры изомеров 1,2-ацетилендитиола
Фролов Ю.Л./Ващенко А.В./Малькина А.Г./Трофимов Б.А.
Ж. структур. химии, Vol: 50, No: 2 , published: 26 November 2009
Эффекты столкновительной интерференции линий в спектрах молекул типа симметрического волчка. II. Самоуширение посторонними газами линий вращательных спектров
Черкасов М.Р.
Оптика и спектроскопия, Vol: 106, No: 1 , published: 25 November 2009
Landau-Zener Transitions in a Dissipative Environment: Numerically Exact Results
P. Nalbach and M. Thorwart
Phys. Rev. Lett., Vol: 103, No: 22 , published: 25 November 2009
Sub-Planck-scale structures in the Pöschl-Teller potential and their sensitivity to perturbations
Utpal Roy, Suranjana Ghosh, Prasanta K. Panigrahi, and David Vitali
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 24 November 2009
Index Distribution of Gaussian Random Matrices
Satya N. Majumdar, Céline Nadal, Antonello Scardicchio, and Pierpaolo Vivo
Phys. Rev. Lett., Vol: 103, No: 22 , published: 24 November 2009
Об одном новом распределении, обобщающем распределение Бозе-Эйнштейна
Маслов В.П.
Теор. и мат. физ., Vol: 159, No: 2 , published: 20 November 2009
Проблема центров масс в задаче о контуре спектральных линий. I. Существование длинных траекторий
Творогов С.Д.
Оптика атмосферы и океана, Vol: 22, No: 5 , published: 20 November 2009
Improved analytical approximation to arbitrary l-state solutions of the Schrodinger equation for the hyperbolical potential
Ikhdair Sameer M./Sever Ramazan
Ann. Phys., Vol: 18, No: 4 , published: 19 November 2009
The odd couple: Boltzmann, Planck and the application of statistics to physics (1900-1913)
Badino Massimiliano
Ann. Phys., Vol: 18, No: 2-3 , published: 19 November 2009
Long quantum transition times due to unstable semiclassical dynamics
D. G. Levkov and A. G. Panin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 18 November 2009
Accurate Prediction of Nonadiabatic Transitions through Avoided Crossings
Volker Betz and Benjamin D. Goddard
Phys. Rev. Lett., Vol: 103, No: 21 , published: 17 November 2009
Метод эквивалентного двухуровневого атома для расчета кинетики космологической рекомбинации водорода
Бургин М.С.
Кpатк. сообщ. по физ. ФИAН, Vol: 2009, No: 4 , published: 16 November 2009
Квантовая динамика наносистем с неэквидистантным спектром
Бендерский В.А./Кац Е.И.
Хим. физ., Vol: 28, No: 3 , published: 16 November 2009
Quantum turbulence cascades in the Gross-Pitaevskii model
Davide Proment, Sergey Nazarenko, and Miguel Onorato
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 12 November 2009
Domain of stability of unnatural parity states of three unit charges
Jean-Marc Richard
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 11 November 2009
Quantum Criticality Out of Equilibrium: Steady State in a Magnetic Single-Electron Transistor
Stefan Kirchner and Qimiao Si
Phys. Rev. Lett., Vol: 103, No: 20 , published: 09 November 2009
Generalized Liouville time-dependent perturbation theory
Jeremy Moix, Eli Pollak, and Jiushu Shao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 05 November 2009
Local Hartree-exchange and correlation potential defined by local force equations
M. Ruggenthaler and D. Bauer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 05 November 2009
Universal Critical Power for Nonlinear Schrödinger Equations with a Symmetric Double Well Potential
Andrea Sacchetti
Phys. Rev. Lett., Vol: 103, No: 19 , published: 05 November 2009
Dynamics of Enhanced Tracer Diffusion in Suspensions of Swimming Eukaryotic Microorganisms
Kyriacos C. Leptos, Jeffrey S. Guasto, J. P. Gollub, Adriana I. Pesci, and Raymond E. Goldstein
Phys. Rev. Lett., Vol: 103, No: 19 , published: 05 November 2009
Inseparability criteria based on matrices of moments
Adam Miranowicz, Marco Piani, Paweł Horodecki, and Ryszard Horodecki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 03 November 2009
On the stability of electrostatic orbits
Banerjee Shubho/Taylor Bradford/Banerjee Anand
Am. J. Phys , Vol: 77, No: 5 , published: 02 November 2009
Non-Markovian dissipative dynamics of two coupled qubits in independent reservoirs: Comparison between exact solutions and master-equation approaches
E. Ferraro, M. Scala, R. Migliore, and A. Napoli
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 27 October 2009
Квазиуровни двухчастичного оператора Шредингера с возмущенным периодическим потенциалом
Чубурин Ю.П.
Теор. и мат. физ., Vol: 158, No: 1 , published: 22 October 2009
Суммы и плотности колебательных состояний системы с конечным числом уровней
Стрекалов М.Л.
Хим. физ., Vol: 28, No: 2 , published: 22 October 2009
Constraining the Energy-Momentum Dispersion Relation with Planck-Scale Sensitivity Using Cold Atoms
Giovanni Amelino-Camelia, Claus Lämmerzahl, Flavio Mercati, and Guglielmo M. Tino
Phys. Rev. Lett., Vol: 103, No: 17 , published: 21 October 2009
Size extensivity of the variational reduced-density-matrix method
Maho Nakata and Koji Yasuda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 20 October 2009
Quantum decoherence of two qubits
Julius Helm and Walter T. Strunz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 19 October 2009
Spin-mixed doubly excited resonances in Ca and Sr spectra
J. H. Chen, T. K. Fang, C. C. Chu, T. S. Yih, and T. N. Chang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 19 October 2009
Electron electric-dipole-moment searches based on alkali-metal- or alkaline-earth-metal-bearing molecules
Edmund R. Meyer and John L. Bohn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 16 October 2009
State-Independent Quantum Contextuality with Single Photons
Elias Amselem, Magnus Rådmark, Mohamed Bourennane, and Adán Cabello
Phys. Rev. Lett., Vol: 103, No: 16 , published: 16 October 2009
Enhancement of field squeezing using coherent feedback
J. E. Gough and S. Wildfeuer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 14 October 2009
Relativistic configuration-interaction oscillator strengths for lowest E1 transitions in silver and gold isoelectronic sequences
Leszek Głowacki and Jacek Migdałek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 14 October 2009
Spin-orbit corrections of order mα6 to the fine structure of the (37,35) state in the 4He p̅ antiprotonic helium atom
Vladimir I. Korobov and Zhen-Xiang Zhong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 14 October 2009
Nonuniform light-matter interaction theory for near-field-induced electron dynamics
Takeshi Iwasa and Katsuyuki Nobusada
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 13 October 2009
Collision-induced absorption by CO2 in the far infrared: Analysis of leading-order moments and interpretation of the experiment
A. P. Kouzov and M. Chrysos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 08 October 2009
Decaying and growing eigenmodes in open quantum systems: Biorthogonality and the Petermann factor
Soo-Young Lee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 06 October 2009
Green’s function for multielectron ions and its application to radiative recombination involving dielectronic recombinations
X. M. Tong, N. Nakamura, S. Ohtani, T. Watanabe, and N. Toshima
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 06 October 2009
Two-qubit decoherence mechanisms revealed via quantum process tomography
A. G. Kofman and A. N. Korotkov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 05 October 2009
Stretched hydrogen molecule from a constrained-search density-functional perspective
Steven M. Valone and Mel Levy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 01 October 2009
Динамический хаос, индуцированный нестабильностью траектории валентного электрона ридберговского атома в микроволновом поле
Захаров М.Ю.
Вестн. С.-Петербург. ун-та. Сер. 1, Vol: 2009, No: 3 , published: 26 September 2009
Fractional occupation in Kohn-Sham density-functional theory and the treatment of non-pure-state v -representable densities
Eli Kraisler, Guy Makov, Nathan Argaman, and Itzhak Kelson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 24 September 2009
Measurement of hyperfine structure within the 6P3/2 excited state of 115In
Mevan Gunawardena, Huajie Cao, Paul W. Hess, and P. K. Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 24 September 2009
Mapping Out Atom-Wall Interaction with Atomic Clocks
A. Derevianko, B. Obreshkov, and V. A. Dzuba
Phys. Rev. Lett., Vol: 103, No: 13 , published: 23 September 2009
Динамический хаос, индуцированный нестабильностью траектории валентного электрона ридберговского атома в микроволновом поле
Захаров М.Ю.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2009, No: 3 , published: 23 September 2009
Absolute frequency measurement of sub-Doppler molecular lines using a 3.4-μm difference-frequency-generation spectrometer and a fiber-based frequency comb
Keisuke Takahata, Takumi Kobayashi, Hiroyuki Sasada, Yoshiaki Nakajima, Hajime Inaba, and Feng-Lei Hong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 23 September 2009
Many-Body Coherent Destruction of Tunneling
Jiangbin Gong, Luis Morales-Molina, and Peter Hänggi
Phys. Rev. Lett., Vol: 103, No: 13 , published: 23 September 2009
High-resolution positron scattering from helium: Grand total and positronium-formation cross sections
P. Caradonna, A. Jones, C. Makochekanwa, D. S. Slaughter, J. P. Sullivan, S. J. Buckman, I. Bray, and D. V. Fursa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 22 September 2009
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
S. Pittalis, E. Räsänen, and E. K. U. Gross
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 21 September 2009
Density functional theory for transition metals and transition metal chemistry
Cramer Chriwtopher J./Truhlar Donald G.
Phys. Chem. Chem. Phys., Vol: 11, No: 46 , published: 21 September 2009
The Jahn–Teller and pseudo-Jahn–Teller effects in the low-lying electronic states of 1,3,5-trifluorobenzene radical cation
Mondal T./Mahapatra S.
Phys. Chem. Chem. Phys., Vol: 11, No: 46 , published: 21 September 2009
Two Electrons on a Hypersphere: A Quasiexactly Solvable Model
Pierre-François Loos and Peter M. W. Gill
Phys. Rev. Lett., Vol: 103, No: 12 , published: 18 September 2009
Experimental and theoretical investigation of molecular field effects by polarization-resolved resonant inelastic x-ray scattering
S. Carniato, R. Guillemin, W. C. Stolte, L. Journel, R Taïeb, D. W. Lindle, and M. Simon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 16 September 2009
Stability of multiply charged fullerene anions and cations
Yang Wang, Henning Zettergren, Manuel Alcamí, and Fernando Martín
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 15 September 2009
Semiquantal valence-bond wave packet description of chemical bonding
Ando Koji
Bull. Chem. Soc. Jpn., Vol: 82, No: 8 , published: 15 September 2009
Cold atomic clouds and Bose-Einstein condensates passing through a Gaussian beam
Shuyu Zhou, Zhenglu Duan, Jing Qian, Zhen Xu, Weiping Zhang, and Yuzhu Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 14 September 2009
Density-functional theory with additional basic variables: Extended Legendre transform
Paul W. Ayers and Patricio Fuentealba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 14 September 2009
Transition rates of electric-dipole-forbidden M1 , E2 , and M2 transitions in iron ions Fe13+ and Fe11+
S. S. Tayal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 14 September 2009
Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon, and silicon
Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Paul W. Ayers, and Patrick Bultinck
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 11 September 2009
Asymptotic theory of the one- and two-electron processes in slow collisions of atomic ions with diatomic molecules
M. V. Khoma, V. Yu. Lazur, and R. K. Janev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 11 September 2009
Photoelectron and Auger-electron angular distributions of fixed-in-space CO2
F. P. Sturm, M. Schöffler, S. Lee, T. Osipov, N. Neumann, H.-K. Kim, S. Kirschner, B. Rudek, J. B. Williams, J. D. Daughhetee, C. L. Cocke, K. Ueda, A. L. Landers, Th. Weber, M. H. Prior, A. Belkacem, and R. Dörner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 10 September 2009
Energies and wave functions for a soft-core Coulomb potential
Richard L. Hall, Nasser Saad, K. D. Sen, and Hakan Ciftci
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 10 September 2009
Molecular theory including quantum effects and thermal fluctuations
Shigeta Yasuteru
Bull. Chem. Soc. Jpn., Vol: 82, No: 11 , published: 10 September 2009
Interaction-time-averaged optical pumping in alkali-metal-atom Doppler spectroscopy
Thomas Lindvall and Ilkka Tittonen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 09 September 2009
Photoionization cross sections for ions of the cerium isonuclear sequence
M. Habibi, D. A. Esteves, R. A. Phaneuf, A. L. D. Kilcoyne, A. Aguilar, and C. Cisneros
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 09 September 2009
Strong-field approximation for diatomic molecules: Comparison between the length gauge and the velocity gauge
Y. J. Chen and Bambi Hu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 09 September 2009
Stationary phase and macrovariable. From wave to particle
Fukuda Reijiro
Progr. Theor. Phys. Suppl., Vol: 2009, No: 182 , published: 07 September 2009
Метод сравнения уравнений и обобщенное уравнение Ермакова
Каменьщик А./Лузин М./Вентури Г.
Изв. вузов. Физ., Vol: 52, No: 12 , published: 07 September 2009
Static dipole polarizability of hydrogenlike ions in Debye plasmas
Y. Y. Qi, J. G. Wang, and R. K. Janev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 02 September 2009
Impedance of square and triangular lattice photonic crystals
Felix J. Lawrence, Lindsay C. Botten, Kokou B. Dossou, C. Martijn de Sterke, and R. C. McPhedran
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 31 August 2009
Theoretical calculation of the electronic states with spin-orbit effects of the molecule LiCs
Elkork N./Houalla D./Korek M.
Can. J. Phys., Vol: 87, No: 10 , published: 31 August 2009
Theoretical electronic investigation of the low-lying electronic states of the LuF molecule
Hamade Y./Haher F./Chouelb M./Monteil Y.
Can. J. Phys., Vol: 87, No: 11 , published: 31 August 2009
Observation of PT-Symmetry Breaking in Complex Optical Potentials
A. Guo, G. J. Salamo, D. Duchesne, R. Morandotti, M. Volatier-Ravat, V. Aimez, G. A. Siviloglou, and D. N. Christodoulides
Phys. Rev. Lett., Vol: 103, No: 9 , published: 27 August 2009
Time-Resolved Measurement of Landau-Zener Tunneling in Periodic Potentials
A. Zenesini, H. Lignier, G. Tayebirad, J. Radogostowicz, D. Ciampini, R. Mannella, S. Wimberger, O. Morsch, and E. Arimondo
Phys. Rev. Lett., Vol: 103, No: 9 , published: 26 August 2009
Low-energy electron capture in collisions of C3+ with He
Y. Wu, Y. Y. Qi, J. Yan, J. G. Wang, Y. Li, R. J. Buenker, D. Kato, and P. S. Krstic
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 25 August 2009
How Long Can a Quantum Memory Withstand Depolarizing Noise?
Fernando Pastawski, Alastair Kay, Norbert Schuch, and Ignacio Cirac
Phys. Rev. Lett., Vol: 103, No: 8 , published: 20 August 2009
Irreducible multiparty correlations can be created by local operations
D. L. Zhou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 18 August 2009
Partially unbiased entangled bases
A. Kalev, F. C. Khanna, and M. Revzen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 17 August 2009
Задача об S-состояниях пионного атома в релятивистской квантовой механике без учета сильного взаимодействия
Головин А.В./Лагоданский В.М.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2009, No: 2 , published: 16 August 2009
Расчеты равновесных свойств квантовых систем с кулоновским взаимодействием методом Монте-Карло в расширенном ансамбле
Вознесенский М.А./Воронцов-Вельяминов П.Н./Любарцев А.П.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2009, No: 2 , published: 16 August 2009
Svetlichny’s approach to detecting genuine multipartite entanglement in arbitrarily-high-dimensional systems by a Bell-type inequality
Dong-Ling Deng, Zi-Sui Zhou, and Jing-Ling Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 13 August 2009
Cooperativity of π-stacking and hydrogen bonding interactions and substituent effects on X-ben‖pyrH–F complexes
Ebrahimi Ali/Habibi Mostafa/Neyband Razieh Sadat/Gholipour Ali Reza
Phys. Chem. Chem. Phys., Vol: 11, No: 48 , published: 10 August 2009
Qudrupolar contact fields: theory and applications
Gray C.G./Karl G./Novikov V.A.
Am. J. Phys , Vol: 77, No: 9 , published: 10 August 2009
Sub-Doppler laser spectroscopy on relativistic beams and tests of Lorentz invariance
C. Novotny, G. Huber, S. Karpuk, S. Reinhardt, D. Bing, D. Schwalm, A. Wolf, B. Bernhardt, T. W. Hänsch, R. Holzwarth, G. Saathoff, Th. Udem, W. Nörtershäuser, G. Ewald, C. Geppert, T. Kühl, T. Stöhlker, and G. Gwinner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 06 August 2009
Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenon
Hanni Matti/Lantto Perttu/Vaara Juha
Phys. Chem. Chem. Phys., Vol: 11, No: 14 , published: 05 August 2009
Does spin-orbit coupling effect favor planar structures for small platinum clusters?
Sebetci Ali
Phys. Chem. Chem. Phys., Vol: 11, No: 6 , published: 05 August 2009
A companion perturbation theory for state-specific multireference coupled cluster methods
Evangelista Francesco A./Simmonett Andrew C./Schaefer Henry F., III/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 23 , published: 05 August 2009
Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives
Ivanov Vladimir V./Lyakh Dmitry I./Adamowicz Ludwik
Phys. Chem. Chem. Phys., Vol: 11, No: 14 , published: 05 August 2009
Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence
Shcherbin Dmitry/Thorvaldsen Andreas J./Ruud Kenneth/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 5 , published: 05 August 2009
Photophysics of phenaloneone: quantum-mechanical investigation of singlet-triplet intersystem crossing
Daza Martha C./Doerr Markus/Slazmann Susanne/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 11 , published: 05 August 2009
Enhancement of IR and VCD intensities due to charge transfer
Nicu Valentin Paul/Autschbach Jochen/Baerends Evert Jan
Phys. Chem. Chem. Phys., Vol: 11, No: 10 , published: 05 August 2009
Quantum tunneling dynamics using entangled trajectories: general potenitals
Wang Ashu/Zheng Yujun/Martens Craig C./Ren Weiyi
Phys. Chem. Chem. Phys., Vol: 11, No: 10 , published: 05 August 2009
Interaction of CHX3 (X = F, Cl, Br) with HNO induces remarkable blue shifts of both C–H and N–H bonds
Trung Nguyen Tien/Hue Tran Thanh/Nguyen Minh Tho
Phys. Chem. Chem. Phys., Vol: 11, No: 6 , published: 05 August 2009
Wave packets in discrete quantum phase space
Jang Young Bang and Micheal S. Berger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 04 August 2009
Decoherence without classicality in the resonant quantum kicked rotor
A. Romanelli
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 03 August 2009
Non-Markovian dynamics for a free quantum particle subject to spontaneous collapse in space: General solution and main properties
Angelo Bassi and Luca Ferialdi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 31 July 2009
Development of a configuration-interaction plus all-order method for atomic calculations
M. S. Safronova, M. G. Kozlov, W. R. Johnson, and Dansha Jiang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 29 July 2009
Crystallization of trions in SU(3) cold-atom gases trapped in optical lattices
Rafael A. Molina, Jorge Dukelsky, and Peter Schmitteckert
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 28 July 2009
Quantum de Finetti theorem in phase-space representation
Anthony Leverrier and Nicolas J. Cerf
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 28 July 2009
Quantum measurements of coupled systems
L. Fedichkin, M. Shapiro, and M. I. Dykman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 27 July 2009
Detection of parity violation in chiral molecules by external tuning of electroweak optical activity
Pedro Bargueño, Isabel Gonzalo, and Ricardo Pérez de Tudela
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 23 July 2009
Weak values and the quantum phase space
A. C. Lobo and C. A. Ribeiro
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 23 July 2009
Shell-model Monte Carlo simulations of the BCS-BEC crossover in few-fermion systems
N. T. Zinner, K. Mølmer, C. Özen, D. J. Dean, and K. Langanke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 23 July 2009
Scattering and bound-state solutions to the wave equation for one electron in the presence of a physical dipole
G. A. Gallup
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 22 July 2009
Creation of multiple electron-positron pairs in arbitrary fields
T. Cheng, Q. Su, and R. Grobe
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 20 July 2009
Quantum dynamics of a plane pendulum
Monika Leibscher and Burkhard Schmidt
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 17 July 2009
Time-independent (static) density-functional theories for pure excited states: Extensions and unification
Paul W. Ayers and Mel Levy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 16 July 2009
Improving approximate-optimized effective potentials by imposing exact conditions: Theory and applications to electronic statics and dynamics
Yair Kurzweil and Martin Head-Gordon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 16 July 2009
Observation of Saturation of Fidelity Decay with an Atom Interferometer
Saijun Wu, Alexey Tonyushkin, and Mara G. Prentiss
Phys. Rev. Lett., Vol: 103, No: 3 , published: 16 July 2009
Entanglement cost of nonlocal measurements
Somshubhro Bandyopadhyay, Gilles Brassard, Shelby Kimmel, and William K. Wootters
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 15 July 2009
Retarded Casimir-Polder force on an atom near reflecting microstructures
Claudia Eberlein and Robert Zietal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 15 July 2009
General conditions for quantum adiabatic evolution
Daniel Comparat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 15 July 2009
Dynamical Casimir effect for a massless scalar field between two concentric spherical shells with mixed boundary conditions
F. Pascoal, L. C. Céleri, S. S. Mizrahi, M. H. Y. Moussa, and C. Farina
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 14 July 2009
Scalable quantum field simulations of conditioned systems
M. R. Hush, A. R. R. Carvalho, and J. J. Hope
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 10 July 2009
Enhanced observability of quantum postexponential decay using distant detectors
E. Torrontegui, J. G. Muga, J. Martorell, and D. W. L. Sprung
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 10 July 2009
Erratum: Entanglement of multiparty-stabilizer, symmetric, and antisymmetric states [Phys. Rev. A 77, 012104 (2008)]
Masahito Hayashi, Damian Markham, Mio Murao, Masaki Owari, and Shashank Virmani
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 07 July 2009
LMC complexity for the ground states of different quantum systems
Á. Nagy, K.D. Sen, H.E. Montgomery Jr.
Phys. Lett. A, Vol: 373, No: 30 , published: 06 July 2009
Rescattering and vibrations in homonuclear diatomic molecules in a strong electromagnetic field
Giuseppe Castiglia, Pietro Paolo Corso, Emilio Fiordilino, Franco Persico
Phys. Lett. A, Vol: 373, No: 30 , published: 06 July 2009
Use of Lambert’s theorem for the n -dimensional Coulomb problem
Vassiliki Kanellopoulos, Manfred Kleber, and Tobias Kramer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 01 July 2009
Equation of motion for the process matrix: Hamiltonian identification and dynamical control of open quantum systems
M. Mohseni and A. T. Rezakhani
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 01 July 2009
Reexamination of the helium fine structure
Krzysztof Pachucki and Vladimir A. Yerokhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 30 June 2009
Adiabatic connection in the low-density limit
Zhen-Fei Liu and Kieron Burke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 29 June 2009
Intrication de deux atomes en utilisant le blocage de Rydberg
A. Gaëtan
Ann. phys. (Fr.), Vol: 34, No: 6 , published: 28 June 2009
Doubly excited resonance states of helium in exponential cosine-screened Coulomb potentials
Arijit Ghoshal and Y. K. Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 26 June 2009
Characteristic trends in the x-ray rates from the 2s3p configuration of He-like ions
L. Natarajan and Anuradha Natarajan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 26 June 2009
Khα1,2 hypersatellites of 3d transition metals and their photoexcitation energy dependence
R. Diamant, S. Huotari, K. Hämäläinen, R. Sharon, C. C. Kao, and M. Deutsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 25 June 2009
K -shell diagram and hypersatellite spectra of 4d transition elements
R. Diamant, S. Huotari, K. Hämäläinen, R. Sharon, C. C. Kao, V. Honkimäki, T. Buslaps, and M. Deutsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 25 June 2009
Elastic scattering of electrons from dimethylsulfide and dimethylsulfoxide
K. C. Rao, K. G. Bhushan, R. Mukund, S. C. Gadkari, and J. V. Yakhmi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 25 June 2009
Geometry of quantum states: New construction of positive maps
Dariusz Chruściński, Andrzej Kossakowski
Phys. Lett. A, Vol: 373, No: 27-28 , published: 22 June 2009
Minimum detection efficiency required for a loophole-free violation of the Braunstein-Caves chained Bell inequalities
Adán Cabello, Jan-Åke Larsson, and David Rodríguez
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 22 June 2009
A simple method for the evaluation of the information content and complexity in atoms. A proposal for scalability
C.P. Panos, N.S. Nikolaidis, K.Ch. Chatzisavvas, C.C. Tsouros
Phys. Lett. A, Vol: 373, No: 27-28 , published: 22 June 2009
Resonant ion-pair formation in electron recombination with HF+
J. B. Roos, A. E. Orel, and Ã…. Larson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 19 June 2009
Optimal control of the silicon-based donor-electron-spin quantum computing
Dong-Bang Tsai, Po-Wen Chen, and Hsi-Sheng Goan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 17 June 2009
Quantum-mechanical calculations of charge transfer in collisions of O3+ with He
Y. Wu, Y. Y. Qi, S. Y. Zou, J. G. Wang, Y. Li, R. J. Buenker, and P. C. Stancil
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 17 June 2009
Leading-order relativistic corrections to the hydrogen molecular ion
Zhen-Xiang Zhong, Zong-Chao Yan, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 17 June 2009
Semiclassical initial-value-representation study of helium scattering from Cu(110)
Jeremy M. Moix and Eli Pollak
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 16 June 2009
Resonance effects on the two-photon emission from hydrogenic ions
P. Amaro, J. P. Santos, F. Parente, A. Surzhykov, and P. Indelicato
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 09 June 2009
Simulation of attosecond streaking of electrons emitted from a tungsten surface
C. Lemell, B. Solleder, K. Tőkési, and J. Burgdörfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 09 June 2009
Genralization of the continuous symmetry measure: the symmetry of vectors, matrices, operators and functions
Dryzun Chaim/Avnir David
Phys. Chem. Chem. Phys., Vol: 11, No: 42 , published: 09 June 2009
Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals
Janesko Benjamin G./Scuseria Gustavo E.
Phys. Chem. Chem. Phys., Vol: 11, No: 42 , published: 09 June 2009
Статистическая модель мерцающей флуоресценции
Учайкин В.В./Сибатов Р.Т.
Ж. эксперим. и теор. физ., Vol: 136, No: 4 , published: 09 June 2009
Коллективные электронно-возбужденные состояния однородной цепочки атомов
Голубков Г.В./Иванов Г.К.
Хим. физ., Vol: 28, No: 10 , published: 09 June 2009
Time-dependent depolarization of aligned HD molecules
Barlett Nate C.-M./Miller Daniel J./Zarc Richard N./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 1 , published: 09 June 2009
Two-photon excited fluorescence depolarisation and electronic energy migration within donor—donor pairs
Opanasyuk Oleg/Ryderfors Linus/Mukhtar Emad/Johansson Lennart B.-A.
Phys. Chem. Chem. Phys., Vol: 11, No: 33 , published: 09 June 2009
A theoretical study on the thermal ring opening rearrangement of 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one: a case of two state reactivity
Patricio González-Navarrete, Pedro B. Coto, Victor Polo and Juan Andrés
Phys. Chem. Chem. Phys., Vol: 11, No: 33 , published: 09 June 2009
Aromaticity of neutral and doubly chraged polyacenes
Ishida Toshimasa/Aihara Jun-ichi
Phys. Chem. Chem. Phys., Vol: 11, No: 33 , published: 09 June 2009
Rabi Oscillations and Few-Level Approximations in Time-Dependent Density Functional Theory
M. Ruggenthaler and D. Bauer
Phys. Rev. Lett., Vol: 102, No: 23 , published: 08 June 2009
Multielectron Correlation in High-Harmonic Generation: A 2D Model Analysis
Suren Sukiasyan, Chris McDonald, Carlos Destefani, Misha Yu. Ivanov, and Thomas Brabec
Phys. Rev. Lett., Vol: 102, No: 22 , published: 05 June 2009
Spectral Singularities of Complex Scattering Potentials and Infinite Reflection and Transmission Coefficients at Real Energies
Ali Mostafazadeh
Phys. Rev. Lett., Vol: 102, No: 22 , published: 05 June 2009
Dynamical screening of an endohedral atom
S. Lo, A. V. Korol, and A. V. Solov’yov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 04 June 2009
Triplet 23 S states in four-electron Be-like ions: Bound-state properties and hyperfine-structure splitting
Alexei M. Frolov and David M. Wardlaw
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 04 June 2009
Hyperfine-structure-constant determination and absolute-frequency measurement of the Rb 4D3/2 state
Han Seb Moon, Won-Kyu Lee, and Ho Suhng Suh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 02 June 2009
Fundamental vibrational transitions of the 3He 4He+ and 7LiH+ ions calculated without assuming the Born-Oppenheimer approximation and with including leading relativistic corrections
Monica Stanke, Sergiy Bubin, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 02 June 2009
Theory of complete orthonormal sets of relativistic tensor wave functions and Slater tensor orbitals of particles with arbitrary spin in position, momentum and four-dimensional spaces
I.I. Guseinov
Phys. Lett. A, Vol: 373, No: 25 , published: 01 June 2009
Creation and localization of entanglement in a simple configuration of coupled harmonic oscillators
J. F. Leandro and F. L. Semião
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 26 May 2009
Adiabatic theorems for linear and nonlinear Hamiltonians
V. I. Yukalov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 22 May 2009
Об определении внутримолекулярных движений
Буренин А.В.
Оптика и спектроскопия, Vol: 107, No: 5 , published: 21 May 2009
Studies of dark resonances in Rb atoms in the field of light pulse train
Auzinsh M./Malitskiy R.A./Matsnev I.V./et al.
Укр. фiз. ж., Vol: 54, No: 10 , published: 20 May 2009
Comment on "Quantum mechanical versus semiclassical tunneling and decay times" by Mar R. A. Shegelski, Jeremy Kavka, and Jeff Hnybida _(Am. J. Phys. 75(6), 504-508 (2007)_)
Intemann Robert L.
Am. J. Phys , Vol: 77, No: 11 , published: 20 May 2009
Periodic local-MP2 computational study of crystalline neon
Halo Migen/Casassa Silvia/Maschio Lorenzo/Pisani Cesare
Phys. Chem. Chem. Phys., Vol: 11, No: 3 , published: 19 May 2009
Multiscale modeling of emergent materials: biological and soft matter
Murtola Teemu/Bunker Alex/Vattulainen Ilpo/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 12 , published: 19 May 2009
Screened hybrid density functionals for solid-state shemistry and physics
Janesko Benjamin G./Henderson Thomas M./Scuseria Gustavo E.
Phys. Chem. Chem. Phys., Vol: 11, No: 3 , published: 19 May 2009
The role of exchange in systematic DFT errors for some organic reactions
Brittain David R.B./Lin Ching Yeh/Gilbert Andrew T.B./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 8 , published: 19 May 2009
Which density functional should be used to study activnyl complexes?
Austin Jonathan P./Burton Neil A./Hillier Ian/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 8 , published: 19 May 2009
Взаимодействие спин-чужая орбита в высоковозбужденных конфигурациях с p- и g-электронами на внешних оболочках
Анисимова Г.П./Долматова О.А./Руснак И.С.
Оптика и спектроскопия, Vol: 107, No: 4 , published: 17 May 2009
Расчет спектра флуоресценции двух взаимодействующих атомов во внешнем поле
Горохов А.В./Семин В.В.
Оптика и спектроскопия, Vol: 107, No: 4 , published: 17 May 2009
In search for an optimal methodology to calculate the valence electron affinities of temporary anions
Puiatti Marcelo/Vera D. Mariano/Pierini Adriana B.
Phys. Chem. Chem. Phys., Vol: 11, No: 40 , published: 17 May 2009
Resolutions of the Coulomb operator Part III. Reduced-rank Schrödinger equations
Limpanaparb Taweetham/Gill Peter M.W.
Phys. Chem. Chem. Phys., Vol: 11, No: 40 , published: 17 May 2009
Эффекты столкновительной интерференции линий в спектрах молекул типа симметрического волчка. III. Уширение вращательных переходов со сверхтонкой структурой
Черкасов М.Р.
Оптика и спектроскопия, Vol: 107, No: 4 , published: 17 May 2009
Оператор Шредінгера з δ'-потенціалом
Головатий Ю.Д./Манько С.С.
Доп. Нац. АН Украïни, Vol: 2009, No: 5 , published: 16 May 2009
Gauge invariance of phenomenological models of the interaction of quantum dissipative systems with electromagnetic fields
M. D. Tokman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 15 May 2009
Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach
Gao Ting/Shi Li-Li/Li Hai-Bin/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 25 , published: 14 May 2009
Modelling energy level alignment at organic interfaces and density functional theory
Flores F./Ortega J./Vazquez H.
Phys. Chem. Chem. Phys., Vol: 11, No: 39 , published: 14 May 2009
Generating functions and sum rules for quantum oscillator
V.S. Popov, M.A. Trusov
Phys. Lett. A, Vol: 373, No: 22 , published: 11 May 2009
Loss of spin entanglement for accelerated electrons in electric and magnetic fields
Jason Doukas and Lloyd C. L. Hollenberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 11 May 2009
Hydrodynamic perspective on memory in time-dependent density-functional theory
M. Thiele and S. Kümmel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 07 May 2009
Ground State Energy of the Two-Dimensional Weakly Interacting Bose Gas: First Correction Beyond Bogoliubov Theory
Christophe Mora and Yvan Castin
Phys. Rev. Lett., Vol: 102, No: 18 , published: 07 May 2009
Comment on “Thermal Lifshitz Force between an Atom and a Conductor with a Small Density of Carriers”
Bodo Geyer, G. L. Klimchitskaya, U. Mohideen, and V. M. Mostepanenko
Phys. Rev. Lett., Vol: 102, No: 18 , published: 07 May 2009
Stimulated Raman adiabatic passage in the field of finite duration pulses
Gromovyi M.V./Romanenko V.I./Yatsenko L.P.
Укр. фiз. ж., Vol: 54, No: 11 , published: 07 May 2009
Extension of density functional theory to nuclear orbital plus molecular orbital theory. Self-consistent field calculations with the Colle-Salvetti electron-nucleus correlation functional
Imamura Yutaka/Tsukamoto Yasuhiro/Kiryu Hiroyoshi/Nakai Hiromi
Bull. Chem. Soc. Jpn., Vol: 82, No: 9 , published: 07 May 2009
Multichannel coherence in strong-field ionization
Nina Rohringer and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 06 May 2009
Uncontrollable quantum systems: A classification scheme based on Lie subalgebras
Thomas Polack, Haim Suchowski, and David J. Tannor
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 06 May 2009
Sensitivity of hyperfine structure to nuclear radius and quark mass variation
T. H. Dinh, A. Dunning, V. A. Dzuba, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 04 May 2009
Efficient computation of the dispersion interaction with density-functional theory
Jing Kong, Zhengting Gan, Emil Proynov, Marek Freindorf, and Thomas R. Furlani
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 30 April 2009
Ultra-Long-Range Rydberg Trimers with a Repulsive Two-Body Interaction
Ivan C. H. Liu, Jovica Stanojevic, and Jan M. Rost
Phys. Rev. Lett., Vol: 102, No: 17 , published: 29 April 2009
Improved analytical approximation to arbitrary l-state solutions of the Schr~:odinger equation for the hyperbolical potentials
Ikhdair Sameer M./Sever Ramazan
Ann. Phys., Vol: 18, No: 10-11 , published: 23 April 2009
Stochastic wave-function unraveling of the generalized Lindblad master equation
Mervlyn Moodley and Francesco Petruccione
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 22 April 2009
Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas
N. N. Lathiotakis, S. Sharma, J. K. Dewhurst, F. G. Eich, M. A. L. Marques, and E. K. U. Gross
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 16 April 2009
Origin, Evolution, and Imaging of Vortices in Atomic Processes
J. H. Macek, J. B. Sternberg, S. Y. Ovchinnikov, Teck-Ghee Lee, and D. R. Schultz
Phys. Rev. Lett., Vol: 102, No: 14 , published: 10 April 2009
Сдвиг и асимметрия резонанса насыщенного поглощения в поле встречных эллиптически поляризованных волн
Бражников Д.В./Тайченачев А.В./Тумайкин А.М./и др.
Ж. эксперим. и теор. физ., Vol: 136, No: 1 , published: 09 April 2009
Гигантское усиление света в атомных кластерах
Гадомский О.Н./Гадомская И.В./Алтунин К.К.
Ж. эксперим. и теор. физ., Vol: 136, No: 1 , published: 09 April 2009
Динамика молекулярных систем в поле ультракоротких лазерных импульсов и интерференционные эффекты, возникающие в процессе перерассеяния
Буренков И.А./Волкова Е.А./Попов А.М./Тихонова О.В.
Ж. эксперим. и теор. физ., Vol: 136, No: 1 , published: 09 April 2009
Exchange interaction and correlations radically change behavior of a quantum particle in a classically forbidden region
V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 08 April 2009
Application of new entangled state representation to a two-coupled oscillator system
Pang Qian-Jun
Chin. Phys., Vol: 14, No: 7 , published: 05 April 2009
Direct "delay" reductions of the Toda Hierarchy
Joshi Nalini/Spicer Paul E.
J. Phys. Soc. Jpn., Vol: 78, No: 9 , published: 05 April 2009
Efimov effect from functional renormalization
S. Moroz, S. Floerchinger, R. Schmidt, and C. Wetterich
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 03 April 2009
Transition frequency shifts with fine-structure constant variation for Fe I and isotope-shift calculations in Fe I and Fe II
S. G. Porsev, M. G. Kozlov, and D. Reimers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 31 March 2009
Three-photon transitions in the hydrogen atom immersed in Debye plasmas
S. Paul and Y. K. Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 30 March 2009
Определение величины эффективного заряда ядра для свободных ионов переходных металлов по экспериментальным спектрам
Бабкин Р.Ю./Ламонова К.В./Орел С.М./Пашкевич Ю.Г.
Оптика и спектроскопия, Vol: 107, No: 1 , published: 26 March 2009
Влияние внешнего электрического поля на вероятности двухфотонных переходов между 2s-, 2p- и 1s-уровнями для атомов водорода и антиводорода
Соловьев Д.А./Лабзовский Л.Н./Шарипов В.Ф.
Оптика и спектроскопия, Vol: 107, No: 1 , published: 26 March 2009
Particle in a box with d _d-function potential: strong and weak coupling limits
Joglekar Yogesh N.
Am. J. Phys , Vol: 77, No: 8 , published: 26 March 2009
Approaches to derivation of quantum kinetic equations
Gerasimenko V.I.
Укр. фiз. ж., Vol: 54, No: 8-9 , published: 26 March 2009
Spectra of Gaudin quantum integrable models and a distribution of zeros of polynomials
Belokolos E.D.
Укр. фiз. ж., Vol: 54, No: 8-9 , published: 26 March 2009
Stability thresholds of quantum systems of three charged particles
Simenog I.V./Bidasyuk Y.M./Kuzmenko M.V./Khryapa V.M.
Укр. фiз. ж., Vol: 54, No: 8-9 , published: 26 March 2009
Nuclear Interference in the Coulomb Explosion of H<sub>2</sub><sup>+</sup> in Short vuv Laser Fields
Morten Førre, Samira Barmaki, and Henri Bachau
Phys. Rev. Lett., Vol: 102, No: 12 , published: 25 March 2009
Recurrence formulas for fully exponentially correlated four-body wave functions
Frank E. Harris
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 24 March 2009
Recoil correction to the decay rate of 2p states in hydrogenlike atoms
V. G. Ivanov and S. G. Karshenboim
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 24 March 2009
General local and rectilinear vibrational coordinates consistent with Eckart's conditions
Iván Scivetti, Jorge Kohanoff, and Nikitas I. Gidopoulos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 24 March 2009
QED calculation of transition probabilities in two-electron ions
Oleg Yu. Andreev, Leonti N. Labzowsky, and Günter Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 23 March 2009
Harmonic hyperspherical basis for identical particles without permutational symmetry
M. Gattobigio, A. Kievsky, M. Viviani, and P. Barletta
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 20 March 2009
Correlation and relativistic effects for the 4f-nl multipole transitions in Yb III ions
U. I. Safronova and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 19 March 2009
Signatures of the classical transition state in atomic quantum spectra
Holger Cartarius, Jörg Main, and Günter Wunner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 19 March 2009
Effect of electron exchange on atomic ionization in a strong electric field
Amusia M.Ya.
Письма в ЖЭТФ, Vol: 90, No: 3-4 , published: 19 March 2009
Построение многоэлектронного базиса для моттовских диэлектриков с учетом сильных электронных корреляций, спин-орбитального взаимодействия и ковалентности
Орлов Ю.С./Овчинников С.Г.
Ж. эксперим. и теор. физ., Vol: 136, No: 2 , published: 19 March 2009
О применении метода конечных разностей при расчете колебательно-вращательных энергий
Овсянников Р.И./Йенсен П./Третьяков М.Ю./Юрченко С.Н.
Оптика и спектроскопия, Vol: 107, No: 2 , published: 19 March 2009
Описание торсионного движения в ионных комплексах ArH[3]{+} и ArD[3]{+}
Буренин А.В.
Оптика и спектроскопия, Vol: 107, No: 2 , published: 19 March 2009
Non-Born-Oppenheimer calculations of the lowest vibrational energy of HD including relativistic corrections
Monika Stanke, Sergiy Bubin, Marcin Molski, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 16 March 2009
Общий метод моделирования молекулярных процессов при наличии сложных взаимодействий между комбинирующими подсистемами
Грибов Л.А./Баранов В.И.
Ж. структур. химии, Vol: 50, No: 1 , published: 14 March 2009
Fractional resonances in the atom-optical delta-kicked accelerator
M. Saunders, P. L. Halkyard, S. A. Gardiner, and K. J. Challis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 27 February 2009
Emergence of classicality in small-number entangled systems
Eduardo Mascarenhas and Marcelo França Santos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 26 February 2009
Quenches in quantum many-body systems: One-dimensional Bose-Hubbard model reexamined
Guillaume Roux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 26 February 2009
Complete transfer of populations from a single state to a preselected superposition of states using piecewise adiabatic passage: Theory
Evgeny A. Shapiro, Valery Milner, and Moshe Shapiro
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 26 February 2009
Ultracold atomic gases in non-Abelian gauge potentials: The case of constant Wilson loop
N. Goldman, A. Kubasiak, P. Gaspard, and M. Lewenstein
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 26 February 2009
Feedback control on geometric phase in dissipative two-level systems
H. Y. Sun, P. L. Shu, C. Li, and X. X. Yi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 25 February 2009
Spin squeezing of atomic ensembles by multicolor quantum nondemolition measurements
M. Saffman, D. Oblak, J. Appel, and E. S. Polzik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 24 February 2009
Recovery of Free Energy Branches in Single Molecule Experiments
Ivan Junier, Alessandro Mossa, Maria Manosas, and Felix Ritort
Phys. Rev. Lett., Vol: 102, No: 7 , published: 19 February 2009
Spin squeezing in the presence of dissipation
O. Civitarese, M. Reboiro, L. Rebon, D. Tielas
Phys. Lett. A, Vol: 373, No: 7 , published: 16 February 2009
Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems
N. Helbig, N. N. Lathiotakis, and E. K. U. Gross
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 06 February 2009
Mott-insulator shells in the three-dimensional Bose-Hubbard model with harmonic confinement
Makoto Yamashita and Michael W. Jack
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 06 February 2009
State operator, constants of the motion, and Wigner functions: The two-dimensional isotropic harmonic oscillator
J. P. Dahl and W. P. Schleich
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 04 February 2009
Резонансная перестройка осцилляций Раби двухуровневой системы
Леонов А.В./Феранчук И.Д.
Ж. прикл. спектроскопии, Vol: 76, No: 4 , published: 04 February 2009
Parameter estimation with cluster states
Matthias Rosenkranz and Dieter Jaksch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 04 February 2009
Many-body theory for systems with particle conversion: Extending the multiconfigurational time-dependent Hartree method
Ofir E. Alon, Alexej I. Streltsov, and Lorenz S. Cederbaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 04 February 2009
Квантово-топологический анализ нековалентных взаимодействий во вторичных структурах полиаланина
Венер М.В./Егорова А.Н./Фомин Д.П./Цирельсон В.Г.
Хим. физ., Vol: 28, No: 8 , published: 04 February 2009
Математическое моделирование внутримолекулярного фотопереноса протона
Морозов В.А.
Хим. физ., Vol: 28, No: 9 , published: 04 February 2009
Hydrogen and helium atoms in strong magnetic fields
Anand Thirumalai and Jeremy S. Heyl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 30 January 2009
Grid-based methods for diatomic quantum scattering problems: A finite-element discrete-variable representation in prolate spheroidal coordinates
Liang Tao, C. W. McCurdy, and T. N. Rescigno
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 30 January 2009
Polarizabilities of the Mg+ and Si3+ ions
J. Mitroy and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 29 January 2009
Erratum: Direct calculation of interaction-induced molecular properties: An application to the relativistic mass-velocity and Darwin terms in the interaction energy of hydrogen atoms [Phys. Rev. A 77, 062514 (2008)]
Konrad Piszczatowski, Grzegorz ach, and Bogumi Jeziorski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 29 January 2009
Собственные смеси против несобственных: на пути к кватернионной квантовой механике
Масилло Ф./Сколаричи Дж./Соццо С.
Теор. и мат. физ., Vol: 160, No: 1 , published: 29 January 2009
Asymptotic approximation to Clebsch-Gordan coefficients from a tight-binding model
Sprung D.W.L./Van Dijk W./Martorell J./Criger D.B.
Am. J. Phys , Vol: 77, No: 6 , published: 29 January 2009
Проблема квантовой фазы для систем гармонического осциллятора и зависящего от времени осциллятора
Джианфреда М./Ландольфи Дж./Парис М.Дж.А.
Теор. и мат. физ., Vol: 160, No: 1 , published: 29 January 2009
Elementary processes with two quantum transitions
Goppert-Mayer Maria
Ann. Phys., Vol: 18, No: 7-8 , published: 27 January 2009
О функции распределения Вигнера для релятивистского линейного осциллятора во внешнем поле
Нагиев Ш.М./Кулиева Г.Г.
Trans. Nat. Acad. of Sci. of Azerb. Ser. Phys.-Techn. and Math. Sci., Vol: 29, No: 2 , published: 25 January 2009
Determination of atomic scattering lengths from measurements of molecular binding energies near Feshbach resonances
A. D. Lange, K. Pilch, A. Prantner, F. Ferlaino, B. Engeser, H.-C. Nägerl, R. Grimm, and C. Chin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 23 January 2009
Theory of Multiphoton Multielectron Ionization of Xenon under Strong 93-eV Radiation
M. G. Makris, P. Lambropoulos, and A. Mihelič
Phys. Rev. Lett., Vol: 102, No: 3 , published: 21 January 2009
The many-body problem with an energy-dependent confining potential
R.J. Lombard, J. Mareš
Phys. Lett. A, Vol: 373, No: 4 , published: 19 January 2009
Stochastic methods in atomic systems and QED
O'Connell R.F.
Can. J. Phys., Vol: 87, No: 1 , published: 16 January 2009
Diverse, successful, and fascinating relativistic many-body perturbation theory
Savukov I.
Can. J. Phys., Vol: 87, No: 1 , published: 16 January 2009
Structure, stability, depolarized light scattering, and vibrational spectra of fullerenols from all-electron density-functional-theory calculations
Roberto Rivelino, Thaciana Malaspina, and Eudes E. Fileti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 13 January 2009
Wave-packet propagation study of the charge-transfer dynamics of Rydberg atoms with metal surfaces
E. So, M. T. Bell, and T. P. Softley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 12 January 2009
Establishing Einstein-Poldosky-Rosen Channels between Nanomechanics and Atomic Ensembles
K. Hammerer, M. Aspelmeyer, E. S. Polzik, and P. Zoller
Phys. Rev. Lett., Vol: 102, No: 2 , published: 12 January 2009
A singular position-dependent mass particle in an infinite potential well
Omar Mustafa, S. Habib Mazharimousavi
Phys. Lett. A, Vol: 373, No: 3 , published: 12 January 2009
Resonance asymmetry and external field effects in the photorecombination of Ti4+
D. Nikolić, T. W. Gorczyca, and N. R. Badnell
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 09 January 2009
Semiclassical propagation method for tunneling ionization
Ilya I. Fabrikant and Gordon A. Gallup
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 08 January 2009
Prospects for application of ultracold Sr2 molecules in precision measurements
S. Kotochigova, T. Zelevinsky, and Jun Ye
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 08 January 2009
Theoretical study of low-lying electronic terms and transition moments for HfF+ for the electron electric-dipole-moment search
A. N. Petrov, N. S. Mosyagin, and A. V. Titov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 08 January 2009
Coupled nuclear and electronic ground-state motion from variational reduced-density-matrix theory with applications to molecules with floppy or resonant hydrogens
Eugene Kamarchik and David A. Mazziotti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 07 January 2009
Density gradients for the exchange energy of electrons in two dimensions
Stefano Pittalis, Esa Räsänen, José G. Vilhena, and Miguel A. L. Marques
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 07 January 2009
Path integrals for potential scattering
R. Rosenfelder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Short-pulse photoexcitation process in the hydrogen atom
A. A. Mityureva, V. V. Smirnov, and A. B. Bichkov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Use of the differential virial theorem to estimate the spatial variation of the exchange-correlation force −[partial-derivative]VXC(r)/[partial-derivative]r in the ground states of the spherical atoms He and Be
Ferenc Bogár, Ferenc Bartha, and Norman H. March
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Relativistic corrections of malpha6(m/M) order to the hyperfine structure of the H2+ molecular ion
Vladimir I. Korobov, L. Hilico, and J.-Ph. Karr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Hyperfine energy levels of alkali-metal dimers: Ground-state homonuclear molecules in magnetic fields
J. Aldegunde and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Collision-induced light scattering spectra and pair-polarizability trace and anisotropy of gaseous neon
M.S.A. El-Kader
Phys. Lett. A, Vol: 373, No: 2 , published: 05 January 2009
The classical dynamics of Rydberg Stark atoms in momentum space
Murray-Krezan J.
Am. J. Phys , Vol: 76, No: 11 , published: 24 December 2008
Combined R-matrix eigenstate basis set and finite-difference propagation method for the time-dependent Schrödinger equation: The one-electron case
L. A. A. Nikolopoulos, J. S. Parker, and K. T. Taylor
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 22 December 2008
Full quantum reconstruction of vortex states
I. Rigas, L. L. Sánchez-Soto, A. B. Klimov, J. Řeháček, and Z. Hradil
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 16 December 2008
Nonlocal quantum macroscopic superposition in a high-thermal low-purity state
Mark E. Brezinski and Bin Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 16 December 2008
General validity of reciprocity in quantum mechanics
H. Y. Xie (謝懷毅), P. T. Leung (梁培德), and D. P. Tsai (蔡定平)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 15 December 2008
Быстродействующий метод массовых полуэмпирических расчетов докинг-комплексов
Аникин Н.А./Андреев А.М./Кузьминский М.Б./Мендкович А.С.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
Fast-forward problem in quantum mechanics
Shumpei Masuda and Katsuhiro Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 10 December 2008
Recoil corrections to decay rates of hydrogenic ions
G. S. Adkins and J. Sapirstein
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 08 December 2008
Anomalous decay of an unstable state coupled with singular continuous states. Weak-coupling limit
Fujiyoshi Masato/Tasaki Shuichi
Progr. Theor. Phys., Vol: 119, No: 6 , published: 08 December 2008
Расчеты электронной структуры молекулы UF[6] и кристалла UO[2] с релятивстским псевдопотенциалом
Эварестов Р.А./Панин А.И./Бандура А.В.
Ж. общ. химии, Vol: 78, No: 10 , published: 04 December 2008
Расчеты основного и возбужденных состояний атомов с отркытой f-оболочкой в приближении Хартри-Фока-Рутана
Малыханов Ю.Б./Евсеев С.В.
Ж. прикл. спектроскопии, Vol: 75, No: 6 , published: 02 December 2008
Power-law behavior in the quantum-resonant evolution of the delta-kicked accelerator
P. L. Halkyard, M. Saunders, S. A. Gardiner, and K. J. Challis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 01 December 2008
Аналитическое решение обратной спектроскопической задачи: определение электронных моментов колебательных переходов двухатомных молекул по их вероятностям
Каслин В.М./Тугов И.И.
Кpатк. сообщ. по физ. ФИAН, Vol: 2008, No: 7 , published: 27 November 2008
Комплексный подход к исследованию фотоники молекул
Артюхов В.Я./Копылова Т.Н./Самсонова Л.Г./и др.
Изв. вузов. Физ., Vol: 51, No: 10 , published: 27 November 2008
Резонансное неупругое рассеяние рентгеновского фотона линейной молекулой
Надолинский А.М./Явна В.А./Хоперский А.Н./Каспржицкий А.С.
Оптика и спектроскопия, Vol: 105, No: 6 , published: 26 November 2008
Описание молекулярного эффекта Штарка методами симметрии
Буренин А.В.
Оптика и спектроскопия, Vol: 105, No: 6 , published: 26 November 2008
Теоретическое исследование структурных и энергетических параметров ван-дер-ваальсова комплекса катиона Li{+} с молекулой N[2]
Буланин К.М./Булычев В.П./Рязанцев М.Н.
Оптика и спектроскопия, Vol: 105, No: 6 , published: 26 November 2008
Эффекты столкновительной интерференции линий в спектрах молекул типа симметрического волчка. I. Теория релаксационных параметров формы спектра в ударном приближении
Черкасов М.Р.
Оптика и спектроскопия, Vol: 105, No: 6 , published: 26 November 2008
Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction
John P. Perdew, Viktor N. Staroverov, Jianmin Tao, and Gustavo E. Scuseria
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 25 November 2008
Double-quantum-coherence attosecond x-ray spectroscopy of spatially separated, spectrally overlapping core-electron transitions
Igor V. Schweigert and Shaul Mukamel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 19 November 2008
Adaptive analytical mapping procedure for efficiently solving the radial Schrödinger equation
Vladimir V. Meshkov, Andrey V. Stolyarov, and Robert J. Le Roy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 19 November 2008
Multiple ionization of C60 by fast Siq+ ions
T. Mizuno, H. Tsuchida, T. Majima, Y. Nakai, and A. Itoh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 18 November 2008
Accuracy limits on the description of the lowest S excitation in the Li atom using explicitly correlated Gaussian basis functions
Monika Stanke, Jacek Komasa, Dariusz Kdziera, Sergiy Bubin, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 14 November 2008
Long-range potentials and (n−1)d+ns molecular resonances in an ultracold Rydberg gas
J. Stanojevic, R. Côté, D. Tong, E. E. Eyler, and P. L. Gould
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 14 November 2008
Calculation of the spectrum of the superheavy element Z=120
T. H. Dinh, V. A. Dzuba, V. V. Flambaum, and J. S. M. Ginges
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 11 November 2008
Nonspherical potential due to orbital polarization and its effect in atoms. Approach to hund's second rule in terms of one-electron picture
Narita Akira
J. Phys. Soc. Jpn., Vol: 77, No: 12 , published: 11 November 2008
Relativistic and electron correlation effects in static dipole polarizabilities for the group-14 elements from carbon to element Z=114: Theory and experiment
Christian Thierfelder, Behnam Assadollahzadeh, Peter Schwerdtfeger, Sascha Schäfer, and Rolf Schäfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 10 November 2008
Atomic parity nonconservation in Ra+
L. W. Wansbeek, B. K. Sahoo, R. G. E. Timmermans, K. Jungmann, B. P. Das, and D. Mukherjee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 06 November 2008
Ionization of the He, Ne, Ar, Kr, and Xe isoelectronic series by proton impact
J. E. Miraglia and M. S. Gravielle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 06 November 2008
Зависимость атомного радиуса и потенциала ионизации от атомного номера, согласно теории "многокомпонентного электронного газа"
Долгоносов А.М.
Ж. физ. химии, Vol: 82, No: 12 , published: 02 November 2008
A "local observables" method for wave mechanics applied to atomic hydrogen
Bowman Peter J.
Am. J. Phys , Vol: 76, No: 12 , published: 02 November 2008
Quantum mechanical sum rules for two model systems
Belloni M./Robinett R.W.
Am. J. Phys , Vol: 76, No: 9 , published: 02 November 2008
Long-time behaviour of an initially localized quantum state
Shegelski Mark R.A./Hnybida Jeff
Can. J. Phys., Vol: 86, No: 11 , published: 02 November 2008
Collective resonance fluorescence of extended systems of cold atoms in the resonator standing wave
Enaki Nicolae/Galeamov Elena
Rom. J. Phys., Vol: 53, No: 5-6 , published: 30 October 2008
Метод самосогласованного поля в приближении Хартри двухэлектронных систем для различных электронных конфигураций
Саркисов П.Д./Байков Ю.А./Мешалкин В.П.
Докл. РАН, Vol: 423, No: 3 , published: 30 October 2008
Dirac-Coulomb energy levels and expectation values
Adkins Gregory S.
Am. J. Phys , Vol: 76, No: 6 , published: 29 October 2008
Dynamical symmetry of Dirac hydrogen atom with spin symmetry and its connection with Ginocchio's oscillator
Fu-Lin Zhang, Bo Fu, and Jing-Ling Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 4 , published: 28 October 2008
The flexible atomic code
Gu Ming Feng
Can. J. Phys., Vol: 86, No: 5 , published: 28 October 2008
Theoretical study with spin-ortib effects and electronic transition moment calculation of the ion NaCs
Korek M./Badreddine K.Allouche A.R.
Can. J. Phys., Vol: 86, No: 8 , published: 28 October 2008
Hard X-ray emission by clusters in an intense femtosecond laser field at the collective recombination
Krainov V.P./Sofronov A.V.
Ж. эксперим. и теор. физ., Vol: 134, No: 3 , published: 24 October 2008
Разработка новых теоретических моделей для исследования образования каскадов и субкаскадов атомных столкновений в облучаемых твердых телах
Метелкин Е.В./Рязанов А.И./Семенов Е.В.
Ж. эксперим. и теор. физ., Vol: 134, No: 3 , published: 24 October 2008
Natural line shape
Elyutin P.V.
Письма в ЖЭТФ, Vol: 88, No: 7-8 , published: 24 October 2008
Реконструкция полноэлектронных волновых функций из псевдоодноэлектронных орбиталей и расчеты вероятностей рентгеновских переходов
Тупицын И.И./Шарапов А.Б./Кузнецов В.Г.
Оптика и спектроскопия, Vol: 105, No: 1 , published: 24 October 2008
Осцилляции Доплера_-Раби движущегося в резонаторе атома, обусловленные взаимодействием Рентгена
Козловский А.В.
Ж. эксперим. и теор. физ., Vol: 134, No: 3 , published: 24 October 2008
Модифицированный потенциал Фьюса для многоэлектронных атомов
Ильинова Е.Ю./Овсянников В.Д.
Оптика и спектроскопия, Vol: 105, No: 5 , published: 23 October 2008
Радиационные распады дважды возбужденных состояний ионов кислорода, углерода и азота
Васецкая Н.О./Иванов В.К.
Оптика и спектроскопия, Vol: 105, No: 5 , published: 23 October 2008
Неупругое рассеяние рентгеновского фотона атомом марганца
Хоперский А.Н./Надолинский А.М./Конеев Р.В./Васильева М.Е.
Оптика и спектроскопия, Vol: 105, No: 5 , published: 23 October 2008
Исследование абсорбционных характеристик молекулярного кислорода в системе Шумана_-Рунге при высоких температурах. I. Расчеты спектров поглощения
Быкова Н.Г./Кузнецова Л.А.
Оптика и спектроскопия, Vol: 105, No: 5 , published: 23 October 2008
Использование квантово-химических расчетов для определения групповых вкладов в термодинамические свойства фосфорорганических соединений
Дорофеева О.В./Рыжова О.Н./Моисеева Н.Ф.
Ж. физ. химии, Vol: 82, No: 6 , published: 23 October 2008
Theory of dissipative chaotic atomic transport in an optical lattice
V. Yu. Argonov and S. V. Prants
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 4 , published: 20 October 2008
Нелокальность взаимодействия и квантовый парадокс Зенона
Гайнутдинов Р.Х./Мутыгуллина А.А.
Изв. РАН. Сер. физ., Vol: 72, No: 5 , published: 19 October 2008
Томографическое представление квантовой механики и статистической физики
Манько О.В.
Изв. РАН. Сер. физ., Vol: 72, No: 5 , published: 19 October 2008
Взаимодействие зарядов в ловушке Пауля
Игнатов А.М.
Кpатк. сообщ. по физ. ФИAН, Vol: 2008, No: 5 , published: 15 October 2008
Влияние взаимодействий возбужденных колебаний на молекулярные параметры
Гавва С.П.
Изв. вузов. Физ., Vol: 51, No: 3 , published: 15 October 2008
Строение регулярных решений уравнений Шредингера и Фаддеева в пределе линейной конфигурации трех частиц
Пупышев В.В.
Теор. и мат. физ., Vol: 155, No: 3 , published: 15 October 2008
Об интегралах движения для точно решаемой модели вазимодействующих фермионов
Иноземцев В.И./Иноземцева Н.Г./Садовников Б.И.
Вестн. МГУ. Сер. 3, Vol: 2008, No: 2 , published: 15 October 2008
Differential virial theorem in density-functional theory in terms of the Pauli potential for spherically symmetric electron densities: Illustrative example for the family of Be-like atomic ions
N. H. March and Á. Nagy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 4 , published: 06 October 2008
Dynamical entanglement of vibrations in small molecules through an analytically algebraic approach
Yan Liu, Yujun Zheng, Weiyi Ren, and Shiliang Ding
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 30 September 2008
Tunneling of a diatomic molecule with many bound states
Jeff Hnybida and Mark R. A. Shegelski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 30 September 2008
Eigenspectral analysis of pendant vertex- and pendant edge-weighted graphs of linear chains, cycles, and stars
Mandal B.
Bull. Chem. Soc. Jpn., Vol: 81, No: 8 , published: 30 September 2008
Dynamical Casimir effect for a massless scalar field between two concentric spherical shells
F. Pascoal, L. C. Céleri, S. S. Mizrahi, and M. H. Y. Moussa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 25 September 2008
Comment on “SO(4) symmetry in the relativistic hydrogen atom”
A. A. Stahlhofen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 24 September 2008
Effect of the geometric phase on the possible measurement of the electron's electric dipole moment using molecules confined by a Stark gravitational trap
Milinda Rupasinghe and N. E. Shafer-Ray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 24 September 2008
Jahn-Teller systems from a cavity QED perspective
Jonas Larson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 22 September 2008
Theoretical optimization and prediction in the experimental search space for vibrational quantum processes
C. Gollub and R. de Vivie-Riedle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 22 September 2008
Nonrelativistic bound states at finite temperature: The hydrogen atom
Miguel Ángel Escobedo and Joan Soto
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 19 September 2008
Fully relativistic density-functional-theory calculations of the electronic structures of MO4 (M=Ru, Os, and element 108, Hs) and prediction of physisorption
V. Pershina, J. Anton, and T. Jacob
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 18 September 2008
Properties of magnetic sublevel coherences for precision measurements
I. Chan, A. Andreyuk, S. Beattie, B. Barrett, C. Mok, M. Weel, and A. Kumarakrishnan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 17 September 2008
Hartree-Fock-Roothaan calculations for many-electron atoms and ions in neutron-star magnetic fields
Dirk Engel and Günter Wunner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 12 September 2008
Regularities in the behavior of dipole moment functions of diatomic molecules at very small internuclear separations
M. A. Buldakov, E. V. Koryukina, V. N. Cherepanov, and Yu. N. Kalugina
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 12 September 2008
Time-dependent density-functional-theory calculation of the van der Waals coefficient C6 of alkali-metal atoms Li, Na, K; alkali-metal dimers Li2, Na2, K2; sodium clusters Nan; and fullerene C60
Arup Banerjee, Jochen Autschbach, and Aparna Chakrabarti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 11 September 2008
Theory of Raman transitions in cavity QED
A. D. Boozer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 09 September 2008
High-precision calculation of the dispersion coefficients of ground-state hydrogen using a variationally stable approach
Mauro Masili and R. J. Gentil
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 09 September 2008
Thermionic electron emission from SF6
Lars H. Andersen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 09 September 2008
Nonmonotonic behavior as a function of nuclear charge of the K-shell Auger and radiative rates and fluorescence yields along the 1s2s22p3 isoelectronic sequence
M. F. Hasoğlu, D. Nikolić, T. W. Gorczyca, S. T. Manson, M. H. Chen, and N. R. Badnell
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 08 September 2008
Angular distribution of the dielectronic satellite lines from relativistic high-Z ions: Multipole-mixing effects
Stephan Fritzsche, Nikolay M. Kabachnik, and Andrey Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 08 September 2008
Existence of a density functional for an intrinsic state
B. G. Giraud, B. K. Jennings, and B. R. Barrett
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 05 September 2008
Ritz variational calculation for two-electron–one-photon transitions in helium
S. Bhattacharyya, T. K. Mukherjee, J. K. Saha, and P. K. Mukherjee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 04 September 2008
Solution of the time-dependent Schrödinger equation using uniform complex scaling
Jakob Bengtsson, Eva Lindroth, and Sølve Selstø
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 03 September 2008
Three-dimensional statistical reduction of the N-body Schrödinger equation for electrons with pairwise Coulomb interactions
Boyan D. Obreshkov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 03 September 2008
Erratum: Corrections to the ns levels of the hydrogen atom in deformed space with minimal length [Phys. Rev. A 74, 062105 (2006)]
M. M. Stetsko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 29 August 2008
Quantum tunneling and the resonant states
A. Rokhlenko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 29 August 2008
Towards numerical implementation of the relativistically covariant many-body perturbation theory
Hedendahl Daniel/Lindgren Ingvar/Salomonson Sten
Can. J. Phys., Vol: 87, No: 7 , published: 26 August 2008
Non-spherical proton shape and hydrogen hyperfine splitting
Buchmann A.J.
Can. J. Phys., Vol: 87, No: 7 , published: 26 August 2008
Ложные состояния уравнения Дирака в конечном базисе
Тупицын И.И./Шабаев В.М.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Интерпретация электронных спектров Fe- и Co-порфиринов на основе квантово-химических расчетов методом функционала плотности
Маслов В.Г.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Симметрия молекулы во внешнем поле
Буренин А.В.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Численное моделирование внутримолекулярной динамики при двухполосной флуоресценции
Морозов В.А.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Влияние формы неплоских колебательных мод на вибронно-индуцированную спин-орбитальную связь ππ*-состояний в безызлучательных интеркомбинационных переходах
Гастилович Е.А./Королькова Н.В./Серов С.А./и др.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Rayleigh-Schrödinger many-body perturbation theory for density functionals: A unified treatment of one- and two-electron perturbations
János G. Ángyán
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 13 August 2008
Fock-space WKB method for the boson Josephson model describing a Bose-Einstein condensate trapped in a double-well potential
V. S. Shchesnovich and M. Trippenbach
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 06 August 2008
Formation of deeply bound molecules via chainwise adiabatic passage
Elena Kuznetsova, Philippe Pellegrini, Robin Côté, M. D. Lukin, and S. F. Yelin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 05 August 2008
Entanglement of group-II-like atoms with fast measurement for quantum information processing
R. Stock, N. S. Babcock, M. G. Raizen, and B. C. Sanders
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 01 August 2008
Multicomponent density-functional theory for electrons and nuclei
Thomas Kreibich, Robert van Leeuwen, and E. K. U. Gross
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 01 August 2008
Formation of vortices in a dense Bose-Einstein condensate
V. P. Barros, Ch. Moseley, A. Gammal, and K. Ziegler
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 31 July 2008
Erratum: Quantum limits to center-of-mass measurements [Phys. Rev. A 75, 033617 (2007)]
Timothy Vaughan, Peter Drummond, and Gerd Leuchs
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 31 July 2008
State-independent control theory for weakly dissipative quantum systems
M. Wenin and W. Pötz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 29 July 2008
SeOClI: A promising candidate for the detection of parity violation in chiral molecules
D. Figgen and P. Schwerdtfeger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 25 July 2008
Analysis of averaged multichannel delay times
N. G. Kelkar and M. Nowakowski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 23 July 2008
Relaxation of a one-dimensional Mott insulator after an interaction quench
Marcus Kollar and Martin Eckstein
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 22 July 2008
Measuring the size of a quantum superposition of many-body states
Florian Marquardt, Benjamin Abel, and Jan von Delft
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 18 July 2008
Tunneling dynamics of a few bosons in a double well
Sascha Zöllner, Hans-Dieter Meyer, and Peter Schmelcher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 18 July 2008
Wave function and external potential from constrained search in density-functional theory
Ji Luo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 16 July 2008
Solitons in the discrete nonpolynomial Schrödinger equation
Aleksandra Maluckov, Ljupčo Hadžievski, Boris A. Malomed, and Luca Salasnich
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 15 July 2008
Derivation of Maxwell-Bloch-type equations by projection of quantum models
Hideo Mabuchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 15 July 2008
Comment on “Critique of the foundations of time-dependent density-functional theory”
A. Holas, M. Cinal, and N. H. March
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 15 July 2008
Nonrelativistic conformal field theory and trapped atoms: Virial theorems and the state-operator correspondence in three dimensions
Thomas Mehen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 11 July 2008
Potassium ground-state scattering parameters and Born-Oppenheimer potentials from molecular spectroscopy
Stephan Falke, Horst Knöckel, Jan Friebe, Matthias Riedmann, Eberhard Tiemann, and Christian Lisdat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 11 July 2008
General form of the quantum-defect theory for −1/ralpha type of potentials with alpha>2
Bo Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 10 July 2008
Resolving controversy about the correlation potential of density-functional theory far outside a finite system
A. Holas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 08 July 2008
Experimental generation of four-mode continuous-variable cluster states
Mitsuyoshi Yukawa, Ryuji Ukai, Peter van Loock, and Akira Furusawa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 01 July 2008
Новый подход к проблеме корреляции: величина потенциала межэлектронного взаимодействия как переменная при решении многочастичного уравнения Шредингера
Тапилин В.М.
Ж. структур. химии, Vol: 49, No: 3 , published: 19 June 2008
Predicting C-H/π interactions with nonlocal density functional theory
Hooper Joe/Cooper Valentino R./Thonhauser Timo/et al.
ChemPhysChem., Vol: 9, No: 6 , published: 19 June 2008
Сравнительное изучение возможностей полноэлектронного базисного набора и псевдопотенциала для атома иода в квантово-химических расчетах иодсодержащих соединений методом функционала плотности
Юрьева А.Г./Полещук О.Х./Филимонов В.Д.
Ж. структур. химии, Vol: 49, No: 3 , published: 19 June 2008
Three lowest S states of 9Be+ calculated with including nuclear motion and relativistic and QED corrections
Monika Stanke, Jacek Komasa, Dariusz Kdziera, Sergiy Bubin, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 6 , published: 12 June 2008
Роль фотонов в образовании и взаимодействии элементарных частиц в атомах биологических молекул
Шувалов В.А.
Докл. РАН, Vol: 420, No: 6 , published: 09 June 2008
Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants
Korona Tatiana
Phys. Chem. Chem. Phys., Vol: 10, No: 43 , published: 09 June 2008
A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian
Sardar Subhankar/Paul Amit Kumar/Mondal Padmabati/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 42 , published: 09 June 2008
A one-electron approximation to dimain-averaged Fermi hole analysis
Cooper David L./Ponee Robert
Phys. Chem. Chem. Phys., Vol: 10, No: 9 , published: 09 June 2008
A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians
Reine Simen\Tellgren Erik\Helgaker Trygve
Phys. Chem. Chem. Phys., Vol: 9, No: 34 , published: 28 May 2008
The Gaussian Generalized Born model: application to small molecules
Grant J.A.\Pickup B.T.\Sykes M.J.\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 35 , published: 28 May 2008
Теорема Вигнера_-фон Неймана: отталкивание уровней и вырожденные состояния
Демков Ю.Н.\Курасов П.Б.
Теор. и мат. физ., Vol: 153, No: 1 , published: 27 May 2008
Скорость потери энергии и когерентности в одномерной колебательной системе, взаимодействующей с термостатом
Еремин В.В.\Глебов И.О.
Теор. и мат. физ., Vol: 153, No: 1 , published: 27 May 2008
Влияние поляризуемости на насыщенное поглощение на запрещенных переходах атомов
Кочанов В.П.
Оптика атмосферы и океана, Vol: 20, No: 9 , published: 27 May 2008
Алгоритм вычисления уровней энергии молекул типа ABC[3] и AB[4] из поверхности потенциальной энергии
Никитин А.В.
Оптика атмосферы и океана, Vol: 20, No: 9 , published: 27 May 2008
Моделирование резонансных функций в теории столкновительного уширения спектральных линий
Стариков В.И.\Лаврентьева Н.Н.
Оптика атмосферы и океана, Vol: 20, No: 9 , published: 27 May 2008
Стационарная теория возмущений для атомов с двумя открытыми оболочками в приближении Хартри_-Фока
Малыханов Ю.Б.\Еремкин И.Н.
Ж. прикл. спектроскопии, Vol: 74, No: 6 , published: 23 May 2008
A subtlety of the Schr~:odinger picture dynamics
Garbaczewski Piotr
Rep. Math. Phys., Vol: 56, No: 1 , published: 22 May 2008
Differential geometry of density states
Man'ko V.I.\Marmo G.\Zaccaria F.\Sudarshan E.C.G.
Rep. Math. Phys., Vol: 55, No: 3 , published: 22 May 2008
Поляризуемость щелочных атомов
Кондратьев Д.А./Бейгман И.Л./Вайнштейн Л.А.
Кpатк. сообщ. по физ. ФИAН, Vol: 2008, No: 12 , published: 21 May 2008
Large curvature tunnelling on the reaction path
Luckhaus David
Phys. Chem. Chem. Phys., Vol: 10, No: 41 , published: 20 May 2008
Comment on Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets by D. P. Tew, W. Klopper, C. Neiss and C. Hättig, Phys. Chem. Chem. Phys., 2007, 9, 1921 [erratum]
Tew David P./Lopper Wim/Neiss Christian/H~:attig Christof
Phys. Chem. Chem. Phys., Vol: 10, No: 41 , published: 20 May 2008
Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment
Blumberger Jochen
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
Two-particle density amtrix cumulant of coupled cluster theory
Korona Tatiana
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
A ground-state-directed optimization scheme for the Kohn-Sham energy
Host Stinne/Jansik Branislav/Olsen Jeppe/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 35 , published: 20 May 2008
Covalent bond orders revisited: the open-shell case
Alcoba Diego R./Bochicchio Roberto C./Lain Luis/Torre Alicia
Phys. Chem. Chem. Phys., Vol: 10, No: 33 , published: 20 May 2008
Local density corrected three-body distribution functions for probing local structure reorganization in liquids
Bhattacharjee Anirban/Hofer Thomas S./Rode Bernd M.
Phys. Chem. Chem. Phys., Vol: 10, No: 44 , published: 19 May 2008
A first-principles investigation of the effect of Pt cluster size on CO and NO oxidation intermediates and energetics
Xu Ye/Getman Rachel B./Shelton William A./Schneider William F.
Phys. Chem. Chem. Phys., Vol: 10, No: 39 , published: 19 May 2008
Постхартри-фоковские методы и динамическая корреляция в атомах и молекулах
Федорова Т.А.\Дмитриев Ю.Ю.\Гусаров С.И.
Оптика и спектроскопия, Vol: 103, No: 5 , published: 15 May 2008
Резонансное неупругое рассеяние рентгеновского фотона атомом ксенона
Хоперский А.Н.\Надолинский А.М.\Явна В.А.\Каспржицкий А.С.
Оптика и спектроскопия, Vol: 103, No: 5 , published: 15 May 2008
К интерпретации уровней энергии основной конфигурации 4f{3} свободного иона Nd{3+}
Леушин А.М.\Ириняков Е.Н.
Оптика и спектроскопия, Vol: 103, No: 5 , published: 15 May 2008
Уровни энергий ионов изоэлектронных последовательностей серебра и родия C Z<86
Иванова Е.П.
Оптика и спектроскопия, Vol: 103, No: 5 , published: 15 May 2008
Изменение орбитального момента электрона в возбужденных кулоновских состояниях в столкновениях с атомными ионами
Чибисов М.И.
Ж. эксперим. и теор. физ., Vol: 132, No: 5 , published: 15 May 2008
Анализ спектра двухфотонного поглощения бензонитрила на основе прямого квантово-механического расчета распределения интенсивности
Бурова Т.Г.\Анашкин А.А.
Оптика и спектроскопия, Vol: 103, No: 5 , published: 15 May 2008
Erratum: Two-electron QED contributions to the ground-state binding energy in He-like Kr34+ ions [Phys. Rev. A 77, 012506 (2008)]
P. H. Mokler, J. R. Crespo López-Urrutia, F. J. Currell, N. Nakamura, S. Ohtani, C. J. Osborne, H. Tawara, J. Ullrich, and H. Watanabe
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 5 , published: 14 May 2008
Intracule densities in the strong-interaction limit of density functional theory
Gori-Giorgi Paola/Seidl Michael/Savin Andreas
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Intracule functional models/ Pt III. The dot intracule and its Fourier transform
Bernard Yves A./Crittenden Deborah L./Gill Peter M.W.
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Probing the effects of heterogeneity on delocalized π···π interaction energies
Bates Desiree M./Anderson Julie A./Oloyede Ponmile/Tschumper Gregory S.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Implementation of the CCSD(T)-F12 method using cusp conditions
Bokhan Denis/Ten-no Seiichiro/Noga Jozef
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Analysis of non-covalent interactions in (bio)organic molecules using orbital-partitioned localized MP2
Stefan Grimme, Christian Mück-Lichtenfeld and Jens Antony
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory
Doser Bernd/Lambrecht Daniel S./Ochsenfeld Christian
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbations
Russ Nicholas J./Crawford T. Daniel
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Goll Erich/Leininger Thierry/Manby Frederick R./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Equations of explicity-correlated coupled-cluster methods
Shiozaki Toru/Kamiya Muneaki/Hirata So/Valeev Edward F.
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Second-order Moller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory
Dahle Pal/Helgaker Trygve/Jonsson Dan/Taylor Peter R.
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanls and analysis of errors and basis-set requirements
Sebastian Höfener, Florian A. Bischoff, Andreas Glöß and Wim Klopper
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Accurate calculations of intermolecular interaction energies using explicity correlated wave functions
Marchetti Oliver/Werner Hans-Joachim
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Variational formulation of perturbative explicity-correlated coupled-cluster methods
Torheyden Martin/Valeev Edward F.
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Resolution of the identity atomic orbital Laplace transformed second order Moller-Plesset theory for nonconducting periodic systems
Izmaylov Artur F./Scuseria Gustavo E.
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
On the use of the Laplace transform in local correlation methods
Danylo Kats, Denis Usvyat and Martin Schütz
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Density matrix renormalisation group Lagrangians
Chan Garnet Kin-Lic
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
The principle-quantum-number (and the radial-quantum-number) expansion of the correlation energy of two-electron atoms
Kutzelningg Werner
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Проблема самосогласованного описания равновесного распределения частиц в трех агрегатных состояниях
Товбин Ю.К.
Ж. физ. химии, Vol: 80, No: 10 , published: 12 May 2008
Effect of Coriolis coupling in chemical reaction dynamics
Chu Tian-Shu/Han Ke-Li
Phys. Chem. Chem. Phys., Vol: 10, No: 18 , published: 11 May 2008
Интерференция резонансных состояний модельных одномерных систем
Адамсон С.О./Дементьев А.И.
Ж. физ. химии, Vol: 82, No: 5 , published: 09 May 2008
Спин-колебательные взаимодействия в геминальных радикальных парах. Эффективный спиновый гамильтониан с учетом ангармонизма
Кубарев С.И./Шигаев А.С./Кубарева И.С./и др.
Хим. физ., Vol: 27, No: 5 , published: 09 May 2008
Постулат Хэммонда: количественная интерпретация
Денисов Е.Т.
Хим. физ., Vol: 27, No: 5 , published: 09 May 2008
Evolution of atom and field linear entropies
Zhao Jie\Guo Hong
Acta phys. sin., Vol: 56, No: 6 , published: 07 May 2008
Jahn-Teller effect in the Nb planar atomic sheet
Chen Lu-Zhuo\Wang Xiao-Chun\Wen Yu-Hua\Zhu Zi-Zhong
Acta phys. sin., Vol: 56, No: 6 , published: 07 May 2008
Distorted waves with exact nonlocal exchange: a canonical function approach
Fakhreddine K.\Tweed R.J.\Vien G. Nguyen\et al.
Can. J. Phys., Vol: 84, No: 3 , published: 06 May 2008
Short time propagation of a singular wave function: some surprising results
Marchewka A.\Granot E.\Schuss Z.
Оптика и спектроскопия, Vol: 103, No: 2 , published: 04 May 2008
Операторный метод вычисления спектра состояний протяженной модели Дике
Бояршинова О.А.\Феранчук И.Д.
Оптика и спектроскопия, Vol: 103, No: 2 , published: 04 May 2008
Spectrum of coherent backscattering of light by two atoms
Shatokhin V.N.
Оптика и спектроскопия, Vol: 103, No: 2 , published: 04 May 2008
Субпуассоновская статистика фотонов флуоресценции одиночной молекулы
Осадько И.С.
Оптика и спектроскопия, Vol: 103, No: 2 , published: 04 May 2008
Квантовохимическое DFT-исследование 2,2'-би-1,10-фенантролина и его восстановленной формы _- потенциального лиганда новых тетраазахромоформных комплексов
Панина Н.С./Демидов В.Н./Симанова С.А.
Ж. общ. химии, Vol: 78, No: 5 , published: 02 May 2008
Ультравторичное квантование фермионов при температуре, отличной от нуля
Коваль Г.В.\Маслов В.П.
Докл. РАН, Vol: 416, No: 4 , published: 25 April 2008
Вероятности однофотонного перехода 2s_-1s в атомах водорода и антиводорода во внешнем электрическом поле
Соловьев Д.А./Шарипов В.Ф./Лабзовский Л.Н./Плюниен Г.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
Вычисление собственных значений дискретного спектра уравнения Шредингера для произвольных одномерных, финитных, четных потенциальных ям
Собко А.А.
Докл. РАН, Vol: 414, No: 4 , published: 25 April 2008
Электрооптика молекул. ~I~I
Казаков К.В.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
Влияние тяжелого атома на безызлучательный интеркомбинационный переход между возбужденными электронными состояниями _p_p{+}-типа
Гастилович Е.А./Королькова Н.В./Клименко В.Г./Нурмухаметов Р.Н.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
Внутренняя динамика димеров (H[2]O)[2] и (D[2]O)[2]. ~I~I. Эффективные операторы физических величин при учете инверсионного и обменного движений
Буренин А.В.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
Внутренняя динамика димеров (H[2]O)[2] и (D[2]O)[2]. ~I~I~I. Описание с учетом инверсионного, обменного и бифуркационного движений
Буренин А.В.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
Вычисление коэффициентов самоуширения линий поглощения водяного пара в модели реальных траекторий
Стариков В.И.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
The asymptotic iteration method for the angular spheroidal eigenvalues with arbitrary complex size parameter c
Barakat T.\Abodayeh K.\Abdallah B.\Al-Dossary O.M.
Can. J. Phys., Vol: 84, No: 2 , published: 22 April 2008
Long-time deviations from exponential decay for inverse-square potentials
J. Martorell, J. G. Muga, and D. W. L. Sprung
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 22 April 2008
Elastic scattering in short-range potentials
Apostol M.
Rom. Rep. Phys., Vol: 59, No: 1 , published: 21 April 2008
Can the DFT-D method descirbe the full range of noncovalent interactions found in large biomolecules?
Morgado Claudio\Vincent Mark A.\Hillier Ian H.\Shan Xiao
Phys. Chem. Chem. Phys., Vol: 9, No: 4 , published: 21 April 2008
Влияние диссипации на колебательную динамику в системе двух взаимодействующих электронных состояний
Глебов И.О./Еремин В.В.
Ж. физ. химии, Vol: 82, No: 4 , published: 19 April 2008
Ангармонические силовые поля и теория возмущений в интерпретации колебательных спектров многоатомных молекул
Краснощеков С.В./Степанов Н.Ф.
Ж. физ. химии, Vol: 82, No: 4 , published: 19 April 2008
Controlling the N- and S-representability of the second-order reduced density matrix: The doublet-state case
D. R. Alcoba, C. Valdemoro, L. M. Tel, and E. Pérez-Romero
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 17 April 2008
Engineering many-body quantum dynamics by disorder
Pierfrancesco Buonsante and Sandro Wimberger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 15 April 2008
Berry phase of two atoms in the same quantized light field
Liang Mai-Lin\Zhang Jin-Hua\Yuan Bing
Ann. Phys., Vol: 16, No: 5-6 , published: 13 April 2008
Собственные векторы _t{(2)}(t[q])-модели Бакстера_-Бажанова_-Строганова с граничными условиями фиксированных спинов
Иоргов Н.З./Шадура В.Н./Тихий Ю.В.
Теор. и мат. физ., Vol: 155, No: 1 , published: 11 April 2008
Ab initio large-amplitude quantum-tunneling dynamics in vinyl radical: a vibrationally adiabatic approach
Nesbitt David J./Dong Feng
Phys. Chem. Chem. Phys., Vol: 10, No: 15 , published: 11 April 2008
Fidelity of two-level atoms' quantum states in a strong thermal radiation field
Zhang Deng-Yu\Guo Ping\Gao Feng
Acta phys. sin., Vol: 56, No: 4 , published: 10 April 2008
One-mode interaction with a four-level atom in a momentum eigenstate
Abdel-Wahab N.H.\Amin Magdy E.\Taha M.
Fizika. A, Vol: 15, No: 1-4 , published: 10 April 2008
Study of velocity-dependent collision effects on Lamb dip and crossover resonance in three-level system
Dutta Bibhas K.\Mahapatra Prasanta K.
Fizika. A, Vol: 15, No: 1-4 , published: 10 April 2008
Influence of nonlinear coupling on quantum decay rate of metastable dissipative systems
Bi Lei\Bao Jing-Dong
Acta phys. sin., Vol: 56, No: 4 , published: 10 April 2008
Constructing green functions of the Schr~:odinger equation by elementary transformations
Tsaur Gin-Yih\Wang Jyhpyng
Am. J. Phys , Vol: 74, No: 7 , published: 10 April 2008
Quantum thermodynamics of the spontaneous approach to the equilibrium state _- irreversible exponential decay of a discrete quantum state of entropy production into a continuum
Zimmermann Herbert W.
Z. phys. Chem., Vol: 222, No: 4 , published: 10 April 2008
Three fully polarized fermions close to a p-wave Feshbach resonance
M. Jona-Lasinio, L. Pricoupenko, and Y. Castin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 09 April 2008
Self-consistent treatment of spin-orbit interactions with efficient Hartree-Fock and density functional methods
Armbruster Markus K./Weigend Florian/Van Wullen Christoph/Klopper Wim
Phys. Chem. Chem. Phys., Vol: 10, No: 13 , published: 09 April 2008
Vibrational quasi-degenerate perturbation theory: applications to Fermi resonance in CO2, H2CO, and C6H6
Yagi Kiyoshi/Hirata So/Kirao Kimihiko
Phys. Chem. Chem. Phys., Vol: 10, No: 13 , published: 09 April 2008
The one-dimensional hydrogen atom revisited
Palma Guillermo\Raff Ulrich
Can. J. Phys., Vol: 84, No: 9 , published: 07 April 2008
Sum rules for an atomic hyperfine structure in a magnetic field
Karshenboim Savely G.
Can. J. Phys., Vol: 84, No: 9 , published: 07 April 2008
Matter waves in anharmonic periodic potentials
Tristram J. Alexander, Mario Salerno, Elena A. Ostrovskaya, and Yuri S. Kivshar
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 04 April 2008
Variational Jastrow coupled-cluster theory of quantum many-body systems
Y. Xian
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 03 April 2008
Aromaticity and magnetotropicity of dicyclopenta-fused polyacenes
Makino Masakazu/Aihara Jun-ichi
Phys. Chem. Chem. Phys., Vol: 10, No: 4 , published: 03 April 2008
Импедансная модель для "барьерных" задач квантовой механики
Нелин Е.А.
Успехи физ. наук, Vol: 177, No: 3 , published: 01 April 2008
Хиральность: вращение поляризации, принцип детального баланса и жизнь
Андронов А.А.
Успехи физ. наук, Vol: 177, No: 3 , published: 01 April 2008
Определение равновесной геометрии молекулы с использованием данных микроволновых спектров и теоретических постоянных колебательно-вращательного взаимодействия
Краснощеков С.В.\Степанов Н.Ф.
Ж. физ. химии, Vol: 80, No: 9 , published: 01 April 2008
Analysis of wave functions for open-shell molecules
Davidson Ernest R.\Clark Aurora E.
Phys. Chem. Chem. Phys., Vol: 9, No: 16 , published: 01 April 2008
Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets
Tew David P.\Klopper Wim\Neiss Christian\Hattig Christof
Phys. Chem. Chem. Phys., Vol: 9, No: 16 , published: 01 April 2008
О физическом смысле молекулярной точечной группы
Буренин А.В.
Успехи физ. наук, Vol: 176, No: 8 , published: 01 April 2008
Deepening and extending the quantum principles in chemistry
Nakatsuji Hiroshi
Bull. Chem. Soc. Jpn., Vol: 78, No: 10 , published: 31 March 2008
SO(4) symmetry in the relativistic hydrogen atom
Jing-Ling Chen, Dong-Ling Deng, and Ming-Guang Hu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 31 March 2008
Accurate quantum-chemical calculations using Gaussian-type geminal and Guassian-type orbital basis sets: applications to atoms and diatomics
Dahle Pal\Helgaker Trygve\Jonsson Dan\Taylor Peter R.
Phys. Chem. Chem. Phys., Vol: 9, No: 24 , published: 28 March 2008
Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)
Vancoillie Steven\Mamqvist Per-Ake\Pierloot Kristine
ChemPhysChem., Vol: 8, No: 12 , published: 28 March 2008
Implications of communication complexity in multipartite systems
Samuel Marcovitch and Benni Reznik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 28 March 2008
Relaxation phenomena in a system of two harmonic oscillators
Antonia Chimonidou and E. C. G. Sudarshan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 28 March 2008
Особенности ионизации многоэлектронных систем и генерации аттосекундных импульсов в лазерных полях ультракороткой длительности
Волкова Е.А.\Попов А.М.\Тихонова О.В.
Оптика и спектроскопия, Vol: 102, No: 2 , published: 27 March 2008
Stability of inhomogeneous multicomponent Fermi gases
D. Blume, Seth T. Rittenhouse, J. von Stecher, and Chris H. Greene
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 27 March 2008
Comment on “Relativistic Aharonov-Bohm effect in the presence of planar Coulomb potentials”
C. R. Hagen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 27 March 2008
Комплексные проекции вполне положительных кватернионных отображений
Асорей М.\Сколаричи Дж.\Соломбрино Л.
Теор. и мат. физ., Vol: 151, No: 3 , published: 27 March 2008
Новый метод решения нестационарного уравнения Шредингера для молекул в сильном импульсном световом поле
Штофф А.В.\Дмитриев Ю.Ю.
Оптика и спектроскопия, Vol: 102, No: 2 , published: 27 March 2008
Полуэмпирическое исследование возмущений g-факторов Ланде электронно-колебательно-вращательных уровней водорода. ~I~V. Состояния I{1}_P[g]{_-}, R{1}_P[g]{_-}, J{1}_D[g]{_-} и S{1}_D[g]{_-} молекул H[2] и D[2]
Асташкевич С.А.
Оптика и спектроскопия, Vol: 102, No: 2 , published: 27 March 2008
О моделировании молекулярных дистрибутивных базисов из сферических гауссовых функций
Глушков В.Н.\Белкина О.С.
Оптика и спектроскопия, Vol: 102, No: 2 , published: 27 March 2008
Singular Hylleraas three-electron integrals
Krzysztof Pachucki and Mariusz Puchalski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 26 March 2008
Optimal decoherence control in non-Markovian open dissipative quantum systems
Wei Cui, Zai Rong Xi, and Yu Pan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 26 March 2008
Метод оценки вероятности структурных изомер-изомерных превращений при наличии большого числа квазивырождений уровней энергий взаимодействующих подсистем
Грибов Л.А.
Ж. структур. химии, Vol: 49, No: 2 , published: 26 March 2008
Disclosing hidden information in the quantum Zeno effect: Pulsed measurement of the quantum time of arrival
J. Echanobe, A. del Campo, and J. G. Muga
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 25 March 2008
Algebraic approach to two-dimensional systems: Shape phase transitions, monodromy, and thermodynamic quantities
F. Pérez-Bernal and F. Iachello
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 25 March 2008
Intrinsic relation between ground-state fidelity and the characterization of a quantum phase transition
Shu Chen, Li Wang, Yajiang Hao, and Yupeng Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 24 March 2008
Aromaticity in heterocyclic and inorganic benzene analogues
Pierrefixe Simon C.A.H./Bickelhaupt F. Matthias
Austral. J. Chem., Vol: 61, No: 3 , published: 22 March 2008
Reexamination of the quantum adiabatic theorem
Yan Zhao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 21 March 2008
Direct characterization of quantum dynamics with single-photon two-qubit states
Wei-Tao Liu, Wei Wu, Ping-Xing Chen, Cheng-Zu Li, and Jian-Min Yuan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 19 March 2008
Positivity of Bloch-Boltzmann equations: Degenerate case
Justyna Czechowska-Kryszk and Stanisaw Kryszewski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 18 March 2008
Siegert-state expansion for nonstationary systems. III. Generalized Born-Fock equations and adiabatic approximation for transitions to the continuum
Oleg I. Tolstikhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 17 March 2008
General simulation of transient ESR and continuous-wave ESR spectra for high-spin states using a density matrix formalism
Teki Y.
ChemPhysChem., Vol: 9, No: 3 , published: 15 March 2008
Multiconfigurational time-dependent Hartree method for bosons: Many-body dynamics of bosonic systems
Ofir E. Alon, Alexej I. Streltsov, and Lorenz S. Cederbaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 14 March 2008
Universality of many-body states in rotating Bose and Fermi systems
M. Borgh, M. Koskinen, J. Christensson, M. Manninen, and S. M. Reimann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 14 March 2008
Markov approximations encounter map domains: A hazard of open quantum dynamics
Thomas F. Jordan, Anil Shaji, and E. C. G. Sudarshan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 13 March 2008
Узагальнення комутацiйних спiввiдношень в квантовiй механiцi систем частинок
Куьменко М.В./Сименог I.В.
Доп. Нац. АН Украïни, Vol: 2008, No: 3 , published: 11 March 2008
Spontaneous emission from a two-level atom tunneling in a double-well potential
Daniel Braun and John Martin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 10 March 2008
Geometric measure of indistinguishability for groups of identical particles
Patrick Cassam-Chenaï
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 10 March 2008
Erratum: Lower bounds on concurrence and separability conditions [Phys. Rev. A 75, 052320 (2007)]
Julio I. de Vicente
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 10 March 2008
A well-tempered density functional theory of electrons in molecules
Livshits Ester\Baer Roi
Phys. Chem. Chem. Phys., Vol: 9, No: 23 , published: 02 March 2008
Vibrational structure theory: new vibrational wave function methods for calculation of anharmonic vibrational energies and vibrational contributions to molecular properties
Christiansen Ove
Phys. Chem. Chem. Phys., Vol: 9, No: 23 , published: 02 March 2008
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case
Lasorne B.\Robb M.A.\Worth G.A.
Phys. Chem. Chem. Phys., Vol: 9, No: 25 , published: 02 March 2008
Toward separation of nulclear spin isomers with coherent light
Deeb Omar\Leibscher Monika\Manz Jorn\et al.
ChemPhysChem., Vol: 8, No: 2 , published: 02 March 2008
Relativistic many-body calculation of energies, lifetimes, hyperfine constants, and polarizabilities in 7Li
W. R. Johnson, U. I. Safronova, A. Derevianko, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 29 February 2008
Relativistic corrections of malpha6 order to the rovibrational spectrum of H2+ and HD+ molecular ions
Vladimir I. Korobov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 28 February 2008
Ab initio study of MXe<sub>n</sub><sup>+</sup> (M=Cu, Ag, and Au; n=1,2)
Li Xin-Ying and Cao xue
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 27 February 2008
Impact of coherence in radiation from ultrahigh-field atomic ionization
Isaac Ghebregziabher and Barry C. Walker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 26 February 2008
Photon pairs with tailor-made entanglement obtained from the two-photon decay of atomic hydrogen
Thomas Radtke, Andrey Surzhykov, and Stephan Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 25 February 2008
Complete alpha2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+
Monika Stanke, Dariusz Kędziera, Sergiy Bubin, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 25 February 2008
Some properties of the resonant state in quantum mechanics and its computation
Hatano Naomichi/Sasada Keita/Nakamura Hiroaki/Petrosky Tomio
Progr. Theor. Phys., Vol: 119, No: 2 , published: 21 February 2008
Multiple-state Feshbach resonances mediated by high-order couplings
Christopher J. Hemming and Roman V. Krems
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 13 February 2008
Some consequences of scaling in density-functional theory and the virial as a density functional
L. Calderín and M. J. Stott
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 12 February 2008
К вопросу о влиянии движения ядра на тонкую структуру водородоподобного атома с различными массами частиц
Бойкова Н.А.\Клещевская С.В.\Тюхтяев Ю.Н.\Фаустов Р.Н.
Теор. и мат. физ., Vol: 149, No: 3 , published: 11 February 2008
Релятивистское обобщение теории ионизации Келдыша
Карнаков Б.М.\Мур В.Д.\Попов В.С.
Ж. эксперим. и теор. физ., Vol: 132, No: 2 , published: 11 February 2008
Лазерное охлаждение квазисвободных атомов в недиссипативной оптической решетке
Матвеева Н.А.\Тайченачев А.В.\Тумайкин А.М.\Юдин В.И.
Ж. эксперим. и теор. физ., Vol: 132, No: 2 , published: 11 February 2008
Stimulated Raman adiabatic passage in a multilevel atom
A. D. Boozer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 11 February 2008
Построение квантовых наблюдаемых и теория самосопряженных расширений симметрических операторов. III. Самосопряженные граничные условия
Воронов Б.Л./Гитман Д.М./Тютин И.В.
Изв. вузов. Физ., Vol: 51, No: 2 , published: 11 February 2008
Потенциалы ионизации и статистические суммы ионов в квазиклассической модели
Шпатаковский Г.В.
Письма в ЖЭТФ, Vol: 86, No: 1-2 , published: 10 February 2008
Приближение внезапных возмущений для уравнения Дирака
Матвеев В.И.
Теор. и мат. физ., Vol: 142, No: 1 , published: 10 February 2008
О быстроубывающем решении задачи Коши для цепочки Тоды
Ханмамедов А.Х.
Теор. и мат. физ., Vol: 142, No: 1 , published: 10 February 2008
Experimental and theoretical study of the nf-level lifetimes of potassium
M. Głódź, A. Huzandrov, M. S. Safronova, I. Sydoryk, J. Szonert, and J. Klavins
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 07 February 2008
Approach to kinetic energy density functionals: Nonlocal terms with the structure of the von Weizsäcker functional
David García-Aldea and J. E. Alvarellos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 06 February 2008
Hyperfine structure of S states in Li and Be+
V. A. Yerokhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 05 February 2008
Laser-induced-fluorescence lifetime measurements and relativistic Hartree-Fock oscillator strength calculations in singly ionized platinum
Pascal Quinet, Patrick Palmeri, Vanessa Fivet, Émile Biémont, Hampus Nilsson, Lars Engström, and Hans Lundberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 05 February 2008
Zeros in the photoionization partial cross sections of H2+
R. Della Picca, P. D. Fainstein, M. L. Martiarena, and A. Dubois
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 05 February 2008
Steering quantum transitions between three crossing energy levels
S. S. Ivanov and N. V. Vitanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 05 February 2008
Entanglement concentration for multi-atom GHZ class state via cavity QED
Jiang Chun-Lei\Fang Mao-Fa\Zheng Xiao-Juan
Chin. Phys., Vol: 15, No: 12 , published: 04 February 2008
High-precision quasienergies for a driven two-level atom at the two-photon preresonance
Dong-Sheng Guo, J. T. Wang, and Yong-Shi Wu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 04 February 2008
Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability
Schwabe Tobias\Grimme Stefan
Phys. Chem. Chem. Phys., Vol: 9, No: 26 , published: 03 February 2008
Steady-state master equation methods
Green Nicholas J.B.\Bhatti Zaheer A.
Phys. Chem. Chem. Phys., Vol: 9, No: 31 , published: 03 February 2008
Calculation and analysis of NMR spin-spin coupling constants
Cremer Dieter\Grafenstein Jurgen
Phys. Chem. Chem. Phys., Vol: 9, No: 22 , published: 03 February 2008
Атомная физика: вычисления на компьютере и теоретический анализ
Друкарев Е.Г.
Успехи физ. наук, Vol: 177, No: 8 , published: 02 February 2008
К вопросу о резонансном EPN-механизме стабилизации структуры молекул
Магаршак Ю.Б.
Докл. РАН, Vol: 415, No: 5 , published: 02 February 2008
Relativistic distorted-wave procedures with pseudostates
Guo-Xin Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 01 February 2008
Theoretical interpretation of multiphoton ionization of neon by soft-x-ray intense radiation
M. G. Makris and P. Lambropoulos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 01 February 2008
Feshbach molecules in a one-dimensional optical lattice
N. Nygaard, R. Piil, and K. Mølmer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 01 February 2008
Discontinuity of the exchange-correlation potential: Support for assumptions used to find it
Espen Sagvolden and John P. Perdew
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 31 January 2008
Parallel solver for the three-dimensional Cartesian-grid-based time-dependent Schrödinger equation and its applications in laser-H2+ interaction studies
Y.-M. Lee, J.-S. Wu, T.-F. Jiang, and Y.-S. Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 31 January 2008
Vibrations of acrylonitrile in N 1s excited states
V. Ilakovac, S. Carniato, J.-J. Gallet, E. Kukk, D. Horvatić, and A. Ilakovac
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 30 January 2008
Theory of x-ray absorption by laser-aligned symmetric-top molecules
Christian Buth and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 30 January 2008
Relativistic corrections to transition frequencies of Ag  I, Dy  I, Ho  I, Yb  II, Yb  III, Au  I, and Hg  II and search for variation of the fine-structure constant
V. A. Dzuba and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 29 January 2008
Взаимодействие спин-спин в высоко-возбужденных конфигурациях npn'g и np{5}n'g
Анисимов Г.П./Ефремова Е.А./Пономарева А.Ю./Цыганкова Г.А.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2008, No: 4 , published: 29 January 2008
Theory of non-equilibirum states driven by constant electromagnetic fields. Non-commutative quantum mechanics in the Keldysh formalism
Onoda Shigeki\Sugimoto Naoyuki\Nagaosa Naoto
Progr. Theor. Phys., Vol: 116, No: 1 , published: 28 January 2008
Relativistic corrections to transition frequencies of Fe I and search for variation of the fine-structure constant
V. A. Dzuba and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 28 January 2008
Ab initio relativistic many-body calculation of hyperfine splittings of 113Cd+
Gopal Dixit, H. S. Nataraj, B. K. Sahoo, R. K. Chaudhuri, and Sonjoy Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 24 January 2008
Double excitations and state-to-state transition dipoles in pi-pi* excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods
Ivan A. Mikhailov, Sergio Tafur, and Artëm E. Masunov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 24 January 2008
Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation
Valeev Edward F.
Phys. Chem. Chem. Phys., Vol: 10, No: 1 , published: 24 January 2008
Exact-exchange energy density in the gauge of a semilocal density-functional approximation
Jianmin Tao, Viktor N. Staroverov, Gustavo E. Scuseria, and John P. Perdew
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 23 January 2008
Geminal-based statistics for the energies of many-electron molecular systems
Adam E. Rothman and David A. Mazziotti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 22 January 2008
A H~:uckel-level kinetic-stability-based approach to aromaticity: cyclic even alternant hydrocarbons
Langler Richard F.
Austral. J. Chem., Vol: 61, No: 1 , published: 22 January 2008
Пространственная группировка и антигруппировка рекомбинаций в фермионной среде с парными квантовыми корреляциями
Ильичев Л.В./Анищик С.В.
Письма в ЖЭТФ, Vol: 87, No: 1-2 , published: 21 January 2008
Towards chemical accuracy for the thermodynamics of large molecules: new hybrid density functionals including non-local correlation effects
Schwabe Tobias\Grimme Stefan
Phys. Chem. Chem. Phys., Vol: 8, No: 38 , published: 19 January 2008
Two-electron QED contributions to the ground-state binding energy in He-like Kr34+ ions
P. H. Mokler, J. R. Crespo López-Urrutia, F. J. Currell, N. Nakamura, S. Ohtani, C. J. Osborne, H. Tawara, J. Ullrich, and H. Watanabe
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 17 January 2008
Calculations of Nd binding energies and photodetachment partial cross sections
Steven M. O'Malley and Donald R. Beck
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 14 January 2008
О спектре надпороговых электронов, образуемых при ионизации атома коротким световым импульсом
Зон Б.А.\Корнев А.С.
Оптика и спектроскопия, Vol: 102, No: 1 , published: 14 January 2008
Основное кинетическое уравнение для приведенного статистического оператора атома в плазме
Гокке К./Репке Г.
Теор. и мат. физ., Vol: 154, No: 1 , published: 14 January 2008
Уравнение для квантовой диссипативной системы в статистической механике
Кирчанов В.С.
Изв. вузов. Физ., Vol: 49, No: 12 , published: 14 January 2008
Создание теории Бора и ее развитие (к 90-летию боровской теории атома)
Милантьев В.П.
Успехи физ. наук, Vol: 174, No: 2 , published: 12 January 2008
Embedding a multideterminantal wave function in an orbital-free environment
Tomasz A. Wesoowski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 11 January 2008
Theoretical study of molecular electronic excitations and optical transitions of C60
A. V. Nikolaev, I. V. Bodrenko, and E. V. Tkalya
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 07 January 2008
Рэлеевское рассеяние света на конденсате захваченного в ловушку бозе-газа и распределение по скоростям атомов отдачи
Алексеев В.А.
Ж. эксперим. и теор. физ., Vol: 131, No: 3 , published: 28 December 2007
Расчеты энергии возбужденных состояний атомов с открытой оболочкой в приближении Хартри_-Фока
Малыханов Ю.Б.\Романов С.А.
Ж. прикл. спектроскопии, Vol: 72, No: 3 , published: 28 December 2007
Расщепление атомных d{N} термов в 3a-металлэндофуллеренах M@C[60] икосаэдрической симметрии
Горелик Е.В.\Плахутин Б.Н.
Ж. структур. химии, Vol: 46, No: 5 , published: 23 December 2007
Новый метод расчета моментов термически средней плотности распределения межъядерных расстояний многоатомных молекул с помощью интегрального уравнения Блоха
Новосадов Б.К.\Кочиков И.В.\Тарасов Ю.И.
Ж. структур. химии, Vol: 46, No: 5 , published: 23 December 2007
Интегралы в теории четырехчастичных атомно-молекулярных систем
Ребане Т.К.
Оптика и спектроскопия, Vol: 102, No: 5 , published: 22 December 2007
Эффективное время высвечивания паров лития
Косарев Н.И.
Оптика и спектроскопия, Vol: 102, No: 5 , published: 22 December 2007
Взаимосвязь поляризационных моментов разной четности при оптической накачке атомов в условиях магнитного резонанса. ~I~I. Теория
Доватор Н.А.\Окуневич А.И.
Оптика и спектроскопия, Vol: 102, No: 5 , published: 22 December 2007
Взаимосвязь поляризационных моментов разной четности при оптической накачке атомов в условиях магнитного резонанса. ~I~I~I. Сравнение теории с экспериментом
Доватор Н.А.\Окуневич А.И.
Оптика и спектроскопия, Vol: 102, No: 5 , published: 22 December 2007
Об уравнениях эволюции коллективных явлений в системах фермионов
Андреев П.А./Кузьменков Л.С.
Изв. вузов. Физ., Vol: 50, No: 12 , published: 16 December 2007
Photo-detachment cross section of H{_-} near two parallel interfaces
Wang De-Hua\Ma Xiao-Guang\Wang Mei-Shan\et al.
Chin. Phys., Vol: 16, No: 5 , published: 10 December 2007
Frequency-dependent response properties and excitation energies from one-electron density matrix functionals
Pernal Katarzyna\Cioslowski Jerzy
Phys. Chem. Chem. Phys., Vol: 9, No: 45 , published: 03 December 2007
Молекулярное моделирование комплексов переходных металлов с открытой d-оболочкой
Дарховский М.Б.\Чугреев А.Л.
Рос. хим. ж., Vol: 48, No: 1 , published: 02 December 2007
Advances in methods and algorithms in a modern quantum chemistry program package
Shao Yihan\Molnar Laszlo Fusti\Jung Yousung\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 27 , published: 26 November 2007
Сто лет квантам света
Милантьев В.П.
Успехи физ. наук, Vol: 175, No: 11 , published: 25 November 2007
Квантовые интегрируемые многоатомные модели, описывающие взаимодействие излучения с веществом с учетом и без учета приближения вращающейся волны
Кунду А.
Теор. и мат. физ., Vol: 144, No: 1 , published: 19 November 2007
Автоионизационные резонансы в сечении фотоионизации внешних p-электронов атомов щелочных металлов
Кулов М.А.\Васецкая Н.О.\Иванов В.К.
Письма в ЖТФ, Vol: 31, No: 9 , published: 19 November 2007
Аналитическое решение кинетического уравнения в задаче о точечных источниках в многоатомном газе
Савков С.А.\Юшканов А.А.\Яламов Ю.И.
Мат. моделир., Vol: 16, No: 11 , published: 19 November 2007
Полнота гамильтонианов Эно_-Эйлеса третьей и четвертой степеней
Конт Р.\Музетте М.\Верховен К.
Теор. и мат. физ., Vol: 144, No: 1 , published: 19 November 2007
Квазиклассическое приближение для нестационарного двумерного нелинейного уравнения Шредингера с внешним полем в полярных координатах
Борисов А.В.\Трифонов А.Ю.\Шаповалов А.В.
Изв. вузов. Физ., Vol: 49, No: 7 , published: 19 November 2007
Конденсат возбужденных состояний в магнии
Попов А.В.
Ж. эксперим. и теор. физ., Vol: 128, No: 2 , published: 18 November 2007
Hartree-Fock energy partitioning in terms of hirshfeld atoms
Mandado Marcos\Van Alsenoy Christian\Geerlings Paul\et al.
ChemPhysChem., Vol: 7, No: 6 , published: 18 November 2007
Уравнения Хартри_-Фока для атомов с двумя открытыми оболочками
Малыханов Ю.Б.\Еремкин И.Н.
Ж. прикл. спектроскопии, Vol: 74, No: 2 , published: 17 November 2007
Электронные переходы при взаимодействии тяжелого атома с ультракоротким импульсом электромагнитного поля
Матвеев В.И.\Пашев И.Н.
Ж. техн. физ., Vol: 74, No: 12 , published: 04 November 2007
О вычислении интеграла перекрывания колебательных функций комбинирующих состояний в теории химических превращений
Грибов Л.А.
Докл. РАН, Vol: 404, No: 1 , published: 03 November 2007
Molecular structure calculations without clamping the nuclei
Sutcliffe Brian T.\Woolley R. Guy
Phys. Chem. Chem. Phys., Vol: 7, No: 21 , published: 30 October 2007
Exchange methods in Kohn-_-Sham theory
Teale Andrew M.\Tozer David J.
Phys. Chem. Chem. Phys., Vol: 7, No: 16 , published: 30 October 2007
Review of recent experimental progresses in foundations of quantum mechanics and quantum information obtained in parametric down conversion experiments at IENGF
Genovese M.\Brida G.\Cagliero E.\et al.
Оптика и спектроскопия, Vol: 99, No: 2 , published: 29 October 2007
Sequential products of quantum measurements
Gudder Stan
Rep. Math. Phys., Vol: 60, No: 2 , published: 28 October 2007
Local invariants for a finite multipartite quantum system
Albeverio Sergio/Cattaneo Laura/Di Persio Luca
Rep. Math. Phys., Vol: 60, No: 2 , published: 28 October 2007
Условие инвариантности энергии атомно-молекулярной системы относительно вращения координат Якоби
Ребане Т.К.
Оптика и спектроскопия, Vol: 96, No: 3 , published: 25 October 2007
Probabilistic aspects of Wigner function
Usenko C.
Оптика и спектроскопия, Vol: 99, No: 3 , published: 25 October 2007
Внутренняя динамика молекул с линейным остовом и парой неэквивалентных волчков с тремя положениями равновесия
Буренина А.В.
Оптика и спектроскопия, Vol: 96, No: 3 , published: 25 October 2007
Электронные корреляции в кристаллах и молекулах
Пирятинский Ю.П.\Репецкий Е.С.\Шатний Т.Д.
Оптика и спектроскопия, Vol: 96, No: 3 , published: 25 October 2007
Intraculae functional models. I. Angle-corrected correlation kernels
Dumont Elise E./Crittenden Deborah L./Gill Peter M.W.
Phys. Chem. Chem. Phys., Vol: 9, No: 39 , published: 22 October 2007
Localized orbital and ammonia triborane
Subotnik Joseph E./Sodt Alex/Hear-Gordon Martin
Phys. Chem. Chem. Phys., Vol: 9, No: 41 , published: 22 October 2007
Intersystem crossing driven by vibronic spin-orbit coupling. A case study on psoralen
Tatchen Jorg/Gilka Natalie/Marian Christel M.
Phys. Chem. Chem. Phys., Vol: 9, No: 38 , published: 22 October 2007
Состояния поляризации с SU(3)-симметрией в квантовой и атомной оптике и предельные измерения
Багаев С.Н.\Алоджанц А.П.\Аракелян С.М.
Докл. РАН, Vol: 395, No: 3 , published: 15 October 2007
Димер CO_-CO как нежесткая молекулярная система
Буренин А.В.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
Описание спектра молекулы этанола при учете смешивания ее транс- и гош-конформеров
Буренин А.В.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
Возбужденные колебания молекул с составными и разностными частотами
Гавва С.П.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
О некоторых соотношениях между полными энергиями молекулярных систем
Станкевич И.В.\Сэто Р.
Ж. физ. химии, Vol: 79, No: 7 , published: 14 October 2007
Visualization of electron correlation in autoinizing states above the 3p threshold in magnesium
Reber Arthur\Gordon Christopher\Berry R. Stephen
Phys. Chem. Chem. Phys., Vol: 7, No: 18 , published: 11 October 2007
From how to why, graph-theoretical verification of quantum-mechanical aspects of _p-electron behaviors in conjugated systems
Hosoya Haruo
Bull. Chem. Soc. Jpn., Vol: 76, No: 12 , published: 11 October 2007
Accelerated, energy-conserving Born_-Oppenheimer molecular dynamics via Fock matrix extrapolation
Herbert John M.\Head-Gordon Martin
Phys. Chem. Chem. Phys., Vol: 7, No: 18 , published: 11 October 2007
Aspects of electron dynamis in a helium atom under and intense laser field
Sadhukhan Mainak/Deb B.M.
Indian J. Phys., Vol: 81, No: 10 , published: 09 October 2007
Study of isolated 1:1 Al{+3}.He complex using many-body perturbation theory: a multi-reference approach
Chattopadhyay Sudip/Mahapatra Uttam Sinha/Chaudhuri Rajat K.
Indian J. Phys., Vol: 81, No: 10 , published: 09 October 2007
Сверхтонкая структура водородоподобных атомов: учет конечности массы и спина атомного ядра
Андреев А.В.
Изв. РАН. Сер. физ., Vol: 69, No: 8 , published: 03 October 2007
О перепутывании квантовых состояний невзаимодействующих подсистем
Башаров А.М.\Маныкин Э.А.
Оптика и спектроскопия, Vol: 96, No: 1 , published: 27 September 2007
Compact photo-ionization rate based on Keldysh theory
Nagaya K.\Mishima K.\Hayashi M.\Lin S.H.
J. Phys. Soc. Jpn., Vol: 75, No: 4 , published: 25 September 2007
Wave functions for the hydrogen atom in a dense plasma
Varshni Y.P.
Can. J. Phys., Vol: 81, No: 11 , published: 25 September 2007
Variational method for excited states from supersymmetric techniques
Borges G.R.P.\De Souza Dutra A.\Drigo Elso\Ruggiero J.R.
Can. J. Phys., Vol: 81, No: 11 , published: 25 September 2007
Электронные конфигурации и периодическая таблица Д.И. Менделеева для сверхтяжелых элементов
Нефедов В.И.\Тржасковская М.Б.\Яржемский В.Г.
Докл. РАН, Vol: 408, No: 4 , published: 24 September 2007
Расчет моментов плотности распределения межъядерных расстояний многоатомных молекул
Новосадов Б.К.\Кочиков И.В.\Тарасов Ю.И.
Ж. физ. химии, Vol: 78, No: 1 , published: 23 September 2007
Through-space interactions in non-Kekul~1e biradicals
Hatanaka Masashi/Shiba Ryuichi
Bull. Chem. Soc. Jpn., Vol: 80, No: 9 , published: 22 September 2007
Об индуцировании радиооптического темного резонанса в четырехуровневой модели щелочных атомов с оптической накачкой
Ермак С.В.\Подвязный А.А.\Семенов В.В.
Изв. вузов. Физ., Vol: 49, No: 8 , published: 21 September 2007
Возбуждение атома водорода бихроматическим излучением с отношением частот 1:2 в присутствии электрического поля
Арустамян М.Г.\Астапенко В.А.
Изв. вузов. Физ., Vol: 49, No: 8 , published: 21 September 2007
Вычисление потенциальной энергии взаимодействия между электроном и атомом в базисе слейтеровских функций
Мурсалов Т.М.\Ахундов И.С.\Байрамова Д.Б.
Изв. вузов. Физ., Vol: 48, No: 2 , published: 13 September 2007
Wigner functions and bond orders
Schmider H.
Z. phys. Chem., Vol: 220, No: 7 , published: 03 September 2007
Density-matrix study of the hydrogen-antihydrogen molecule
Saenz A.
Z. phys. Chem., Vol: 220, No: 7 , published: 03 September 2007
Symmetric informationally complete measurements of arbitrary rank
Appleby D.M.
Оптика и спектроскопия, Vol: 103, No: 3 , published: 02 September 2007
Phase space quantization as a moment problem
Kiukas J.
Оптика и спектроскопия, Vol: 103, No: 3 , published: 02 September 2007
Contribution to understanding the mathematical structure of quantum mechanics
Sk~1ala L.\Kapsa V.
Оптика и спектроскопия, Vol: 103, No: 3 , published: 02 September 2007
Effective description of complex quantum systems: path integrals and operator ordering problems
Eckern Ulrich\Gruber Michael J.\Schwab Peter
Ann. Phys., Vol: 14, No: 9-10 , published: 02 September 2007
Coset parameterization of density matrices
Javad Akhtarshenas S.
Оптика и спектроскопия, Vol: 103, No: 3 , published: 02 September 2007
Квазилинейная теория нелинейного уравнения Шредингера с периодическими коэффициентами
Медведев С.Б.\Федорук М.П.
Письма в ЖЭТФ, Vol: 79, No: 1-2 , published: 31 August 2007
Применение методов минимизации в расчетах атомов с несколькими открытыми оболочками
Малыханов Ю.Б.\Романов С.А.
Ж. структур. химии, Vol: 46, No: 2 , published: 28 August 2007
How accurate is the CASPT2 method?
Azizi Zahra\Roos Bjorn O.\Veryazov Valera
Phys. Chem. Chem. Phys., Vol: 8, No: 23 , published: 28 August 2007
A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer
Jung Yousung\Head-Gordon Martin
Phys. Chem. Chem. Phys., Vol: 8, No: 24 , published: 28 August 2007
General internal coordinate gradient vectors and the vibrational kinetic energy operator of centrally-connected penta-atomic systems. Pt I
Manson Steven A.\Law Mark M.
Phys. Chem. Chem. Phys., Vol: 8, No: 24 , published: 28 August 2007
The molecular potential energy surface and vibrational energy levels of methyl fluoride. Pt II
Manson Steven A.\Law Mark M\Atkinson Ian A.\Thomson Grant A.
Phys. Chem. Chem. Phys., Vol: 8, No: 24 , published: 28 August 2007
Quantum thermodynamics of entropy production and time _- an approach to irreversibility
Zimmermann Herbert W.
Z. phys. Chem., Vol: 220, No: 9 , published: 27 August 2007
Полуэмпирика и ab initio _- антагонизм или дополнительность?
Грибов Л.А.
Ж. физ. химии, Vol: 79, No: 4 , published: 19 August 2007
Вычисление сечения ионизации He электронным ударом с образованием иона в возбужденном состоянии
Елизаров А.Ю.\Тупицын И.И.
Оптика и спектроскопия, Vol: 99, No: 5 , published: 17 August 2007
Однодетерминантное приближение с локальным потенциалом для возбужденных состояний
Глушков В.Н.
Оптика и спектроскопия, Vol: 99, No: 5 , published: 17 August 2007
Concurrence of the mixed state of two non-orthogonal pure states
Di Yao-Min\Hu Bao-Lin\Liu Dong-Dong\Yan Shi-Ming
Acta phys. sin., Vol: 55, No: 8 , published: 14 August 2007
The study of properties of Chinese railway passenger transport network
Zhao Wei\He Hong-Sheng\Lin Zhong-Cai\Yang Kong-Qing
Acta phys. sin., Vol: 55, No: 8 , published: 14 August 2007
Оптимизация параметров эффективного гамильтониана в полуэмпирическом методе расчета сложных атомных спектров
Рамонас А.
Ж. прикл. спектроскопии, Vol: 70, No: 5 , published: 12 August 2007
Расчет в приближении Хартри_-Фока электрической поляризуемости атомов с открытой оболочкой
Малыханов Ю.Б.\Мешков В.В.\Чадин Р.М.
Ж. прикл. спектроскопии, Vol: 70, No: 5 , published: 12 August 2007
О дискретном спектре оператора Шредингера, возмущенного ограниченным потенциалом с малым носителем
Бикметов А.Р.\Борисов Д.И.
Теор. и мат. физ., Vol: 145, No: 3 , published: 02 August 2007
Расчет вероятностей перехода и времени жизни штарковских состояний атома гелия в переменном электрическом поле
Корюкина Е.В.
Оптика атмосферы и океана, Vol: 19, No: 7 , published: 26 July 2007
О согласовании результатов полуэмпирических квантовохимических расчетов структурных свойств красителей и их ионных ассоциатов
Шаповалов С.А.\Самойлов Е.А.\Иванов В.В.
Изв. вузов. Химия и хим. технол., Vol: 49, No: 7 , published: 26 July 2007
Субпуассоновское распределение фотонов флуоресценции одиночного атома
Осадько И.С.
Изв. РАН. Сер. физ., Vol: 70, No: 4 , published: 24 July 2007
Нелинейная динамика холодного атома в оптической решетке: эффект спонтанного излучения
Аргонов В.Ю.\Пранц С.В.
Изв. РАН. Сер. физ., Vol: 70, No: 4 , published: 24 July 2007
Обобщенная квантовая динамика и нелокальность взаимодействия атома с квантовым полем
Гайнутдинов Р.Х.\Июдин А.С.\Мутыгуллина А.А.
Изв. РАН. Сер. физ., Vol: 70, No: 4 , published: 24 July 2007
Классическая и квантовая интегрируемость гамильтонианов без состояний рассеяния
Энсисо А.\Пералта-Салас Д.
Теор. и мат. физ., Vol: 148, No: 2 , published: 23 July 2007
Двумерная задача двух кулоновских центров при малых межцентровых расстояниях
Бондарь Д.И.\Гнатич М.\Лазур В.Ю.
Теор. и мат. физ., Vol: 148, No: 2 , published: 23 July 2007
Спектры бесконечомерных выборочных ковариационных матриц
Сердобольский В.И.
Теор. и мат. физ., Vol: 148, No: 2 , published: 23 July 2007
Дробное Доплер-возрождение эволюции населенности энергетического уровня атома
Мурадян Г.А.
Изв. НАН Армении. Физ., Vol: 39, No: 6 , published: 20 July 2007
О роли интерференции в далеких крыльях спектральных линий CO[2]
Творогов С.Д.\Родимова О.Б.\Несмелова Л.И.
Оптика атмосферы и океана, Vol: 16, No: 11 , published: 10 July 2007
Вычисленный микроволновый спектр монодейтерометана в области 3_-4 см{_-1}
Михайлов В.М.\Воронин Б.А.
Оптика атмосферы и океана, Vol: 16, No: 11 , published: 10 July 2007
Центробежный эффект и HEL-резонансы в колебательно-вращательных спектрах трехатомных молекул
Быков А.Д.\Воронин Б.А.\Воронина С.С.\Науменко О.В.
Оптика атмосферы и океана, Vol: 16, No: 11 , published: 10 July 2007
Симметризованная форма оператора кинетической энергии пятиатомных молекул с тремя одинаковыми атомами во внутренних координатах
Никитин А.В.
Оптика атмосферы и океана, Vol: 16, No: 11 , published: 10 July 2007
Обобщенное преобразование Эйлера рядов двух переменных. Применение к колебательно-вращательным уровням энергии двухатомных молекул
Быков А.Д.\Круглова Т.В.
Оптика атмосферы и океана, Vol: 16, No: 11 , published: 10 July 2007
Электронная поляризуемость молекул N[2] и O[2]: роль обменных взаимодействий
Булдаков М.А.\Черепанов В.Н.
Оптика атмосферы и океана, Vol: 16, No: 11 , published: 10 July 2007
A modified Bethe Ansatz for the two-dimensional dimer problem
Schmidt Jeffrey R.
Can. J. Phys., Vol: 85, No: 7 , published: 10 July 2007
Релятивистское смещение линейного эффекта Зеемана
Савченко О.Я.
Оптика и спектроскопия, Vol: 101, No: 2 , published: 08 July 2007
Ионизация водородоподобного иона сильным низкочастотным линейно поляризованным лазерным полем
Косарев И.Н.
Оптика и спектроскопия, Vol: 101, No: 3 , published: 08 July 2007
Оценка сечений электронного возбуждения переходов 1s_!2s, 2p, 3s, 3p, 3d атома водорода на основе гауссовой аппроксимации фейнмановского интеграла
Митюрева А.А.\Смирнов В.В.
Оптика и спектроскопия, Vol: 101, No: 3 , published: 08 July 2007
Теория спиновых поляризационных явлений при атомном и молекулярном фотоэффектах
Агре М.Я.
Оптика и спектроскопия, Vol: 101, No: 3 , published: 08 July 2007
Calculation of the photoinization with de-excitation cross sections of He and helium-like ions
Amusia M.Ya.\Krivec R.\Liverts E.Z.\Mandelzweig V.B.
Ж. эксперим. и теор. физ., Vol: 129, No: 4 , published: 08 July 2007
Бивекторный подход к анализу межатомных корреляций при когерентном пленении населенностей
Ильичев Л.В.
Ж. эксперим. и теор. физ., Vol: 129, No: 4 , published: 08 July 2007
Импульсное приближение для сечения двухэлектронной ионизации атомов и ионов электронным ударом
Бейгман И.Л.
Ж. эксперим. и теор. физ., Vol: 129, No: 4 , published: 08 July 2007
Парциальные гипервириальные теоремы для атомно-молекулярных систем
Ребане Т.К.
Оптика и спектроскопия, Vol: 100, No: 1 , published: 08 July 2007
Спонтанное и обратное вынужденное комбинационное рассеяние света в метане
Кочанов В.П.\Куряк А.Н.\Макогон М.М.\Тырышкин И.С.
Оптика и спектроскопия, Vol: 101, No: 2 , published: 08 July 2007
Неэмпирический и квазиклассический подходы к расчету моментов электронных переходов
Бутырский А.М.\Бутырская Е.В.
Оптика и спектроскопия, Vol: 101, No: 3 , published: 08 July 2007
Пространственная структура инвариантов в полевых конфигурациях монохроматического поля размерности D>1
Безвербный А.В.
Ж. эксперим. и теор. физ., Vol: 124, No: 5 , published: 06 July 2007
Атом водорода в сверхсильном магнитном поле и эффект Зельдовича
Карнаков Б.М.\Попов В.С.
Ж. эксперим. и теор. физ., Vol: 124, No: 5 , published: 06 July 2007
Излучение и электронные переходы при взаимодействии атома с ультракоротким импульсом электромагнитного поля
Матвеев В.И.
Ж. эксперим. и теор. физ., Vol: 124, No: 5 , published: 06 July 2007
Статистические свойства спектров квантовых графов
Дабагян Ю.
Письма в ЖЭТФ, Vol: 83, No: 11-12 , published: 06 July 2007
Коллективное излучение системы двух трехуровневых атомов V-типа в двухмодовом резонаторе с потерями
Башкиров Е.К.
Изв. вузов. Физ., Vol: 49, No: 2 , published: 04 July 2007
Резонансное неупругое рассеяние фотона атомом неона в области K- и KL[23]-порогов ионизации
Хоперский А.Н.\Надолинский А.М.\Конеев Р.В.\Явна В.А.
Оптика и спектроскопия, Vol: 100, No: 4 , published: 02 July 2007
Лазерно-индуцированные эффекты с участием перекрывающихся ридберговских автоионизационных состояний ксенона
Грум-Гржимайло А.Н.\Грызлова Е.В.\Магунов А.И.\Страхова С.И.
Оптика и спектроскопия, Vol: 100, No: 4 , published: 02 July 2007
Динамика коллективного спонтанного излучения двух трехуровневых атомов в резонаторе
Башкиров Е.К.
Оптика и спектроскопия, Vol: 100, No: 4 , published: 02 July 2007
Корреляционные поправки на основе уравнения Шредингера с локальным потенциалом
Глушков В.Н.\Фесенко С.И.
Оптика и спектроскопия, Vol: 100, No: 3 , published: 02 July 2007
Состояние атомно-молекулярной системы у порога устойчивости
Ребане Т.К.
Оптика и спектроскопия, Vol: 95, No: 6 , published: 02 July 2007
Модель глобального описания спектра молекулы метанола в основном электронном состоянии
Буренин А.В.
Оптика и спектроскопия, Vol: 100, No: 4 , published: 02 July 2007
Интенсивности фотоэлектронных спектров слабосвязанных анионов: случай комплекса атомного аниона с двухатомной молекулой
Гринев Т.А.\Бучаченко А.А.
Оптика и спектроскопия, Vol: 100, No: 4 , published: 02 July 2007
Квантово-механические расчеты свойств низших синглетных состояний молекулы диметиламинобензонтрила в жидких диэлектриках
Томин В.И.\Брозис М.
Оптика и спектроскопия, Vol: 100, No: 4 , published: 02 July 2007
Бозе-эйнштейновская конденсация в разреженном газе. Первые 70 лет и несколько последних экспериментов
Корнелл Э.А.\Виман К.Э.
Успехи физ. наук, Vol: 173, No: 12 , published: 29 June 2007
Когда атомы ведут себя как волны. Бозе-эйнштейновская конденсация и атомный лазер
Кеттерле В.
Успехи физ. наук, Vol: 173, No: 12 , published: 29 June 2007
Теория возмущений для двухчастичного оператора Шредингера на одномерной решетке
Абдуллаев Ж.И.
Теор. и мат. физ., Vol: 145, No: 2 , published: 26 June 2007
Квантовая химия сегодня
Степанов Н.Ф./Новаковская Ю.В.
Рос. хим. ж., Vol: 51, No: 5 , published: 30 May 2007
Этот виртуальный молекулярный мир
Грибов Л.А./Михайлов И.В.
Рос. хим. ж., Vol: 51, No: 5 , published: 30 May 2007
Теоретические методы исследования возбужденных состояний органических молекул
Дороган И.В.
Рос. хим. ж., Vol: 51, No: 5 , published: 30 May 2007
Гибридные обменно-корреляционные функционалы и потенциалы: развитие концепции
Арбузников А.В.
Ж. структур. химии, Vol: 48, No: прил. , published: 22 May 2007
Новое поколение полуэмпирических методов молекулярного моделирования на основе теории групповых функций
Чугреев А.Л.
Ж. структур. химии, Vol: 48, No: прил. , published: 22 May 2007
New evaluation of proton structure corrections to hydrogen phyperfine splitting
Carlson C.E.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
Three-loop radiative corrections to Lamb shift and hyperfine splitting
Eides M.I./Shelyuto V.A.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
Two-loop QED corrections in few-electron ions
Yerokhin V.A./Indelicato PL./Shabaev V.M.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
Two-loop effects and current status of the {4}He{+} Lamb shift
Jentschura U.D./Haas M.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
g factor on the bound electron and muon
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Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
Vacuum polarization in muonic and exotic atoms: the Lamb shift at medium Z and high n
Korzinin E.Yu./Ivanov V.G./Karshenboim S.G.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
Energy-dependent many-body perturbation theory for few-electron systems: pair functions with a virtual photon for helium-like systems
Hedendahl D./Solomonson S./Lindgren I.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
Correlations in many electron systems: theory and applications
Tomaselli M./K~:uhl T./Ursescu D./Fritzsche S.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
Nonresonant corrections and the limits for the accuracy of the frequency measurements in the modern hydrogen experiments
Labzowsky L./Schedrin G./Solovyev D./Plunien G.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
High-accuracy calculations in the H[2]{+} molecular ion: towards a measurement of m[p]/m[e]
Karr J. Ph./Bielsa F./Valenzuela T./et al.
Can. J. Phys., Vol: 85, No: 5 , published: 13 May 2007
A Proposal for Calculating the Orbital-Dependent Exchange-Correlation Potential by Means of the Virial Theorem
Mitsuru Kodera, Katsuhiko Higuchi, Akira Narita, and Masahiko Higuchi
J. Phys. Soc. Jpn., Vol: 76, No: 5 , published: 10 May 2007
Фундаментальные решения уравнений квантовой механики как распределения и особенности решения уравнения Дирака
Бейлинсон А.А.
Теор. и мат. физ., Vol: 151, No: 2 , published: 02 May 2007
Эффекты нарушения СРТ- и лоренц-инвариантности в водородоподобных атомах
Жуковский В.Ч.\Харланов О.Г.
Вестн. МГУ. Сер. 3, Vol: 2007, No: 5 , published: 01 January 2007
Полуэмпирический расчет атомных характеристик высоковозбужденных конфигураций гелия
Цыганков М.А.\Ефремова Е.А.\Семенов Р.И.\Цыганкова Г.А.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2007, No: 2 , published: 01 January 2007
Adiabatic Approximation for Path Integrals and Geometrical Potentials
Takashi Ohnishi and Naoto Nagaosa
J. Phys. Soc. Jpn., Vol: 76, No: 1 , published: 25 December 2006
Варианты выражения постоянной Планка через константы электродинамики и модель атома с колеблющимся электроном
Похмельных Л.А.
Прикл. физ., Vol: 2006, No: 4 , published: 26 November 2006
Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications
Dreuw Andreas
ChemPhysChem., Vol: 7, No: 11 , published: 04 November 2006
Поляризуемости компонент тонкой структуры низковозбужденных состояний атомов F, Cl и Br
Зон Б.А./Кретинин И.Ю./Чернов В.Е.
Оптика и спектроскопия, Vol: 101, No: 4 , published: 29 October 2006
Применение метода асимптотического проектирования к расчету вертикальных потенциалов ионизации
Глушков В.Н./Цауне А.Я.
Оптика и спектроскопия, Vol: 101, No: 4 , published: 29 October 2006
On the physical nature of mesophases of guanosine gels
Rudd Laura\Lee Dominic J.\Kornyshev Alexei A.
Phys. Chem. Chem. Phys., Vol: 8, No: 37 , published: 04 October 2006
Геометрический подход к интерпретации принципа Паули
Чувылкин Н.Д.\Смоленский Е.А.\Черных А.В.
Хим. физ., Vol: 25, No: 9 , published: 19 September 2006
О квантовании вращения твердого тела
Антонов В.А./Кондратьев Б.П.
Ж. техн. физ., Vol: 76, No: 8 , published: 22 August 2006
Creating and probing long-range order in atomic clouds
Von Cube C.\Slama S.\Kohler M.\et al.
Fortschr. Phys., Vol: 54, No: 8-10 , published: 19 August 2006
Detecting neutral atoms on an atom chip
Wilzbach M.\Haase A.\Schwarz M.\et al.
Fortschr. Phys., Vol: 54, No: 8-10 , published: 19 August 2006
Implementation complexity of physical processes as a natural extension of computational complexity
Janzing D.
Fortschr. Phys., Vol: 54, No: 8-10 , published: 19 August 2006
Quantum phenomena via complex measure: holomorphic extension
Srinivasan S.K.
Fortschr. Phys., Vol: 54, No: 7 , published: 02 July 2006
Orbital-dependent nonlocal correlation energy functional constructed from a Jastrow function: Application to atoms and ions
Naoto Umezawa and Toyohiro Chikyow
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 30 June 2006
Quantum calculation of cold-atom diffraction using periodic magnetic fields
Yin Hung, Bradley Schuller, John Giblin, and Janine Shertzer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 29 June 2006
Multichannel quantum-defect-theory analysis of the observed odd-parity 5dnd autoionization Rydberg series of neutral europium
S. Bhattacharyya, S. G. Nakhate, T. Jayasekharan, and M. A. N. Razvi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 13 June 2006
Geometric phase for open quantum systems and stochastic unravelings
Angelo Bassi and Emiliano Ippoliti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 08 June 2006
Many-body procedure for energy-dependent perturbation: Merging many-body perturbation theory with QED
Ingvar Lindgren, Sten Salomonson, and Daniel Hedendahl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 07 June 2006
Quantum electrodynamic corrections to the hyperfine structure of excited S states
Ulrich D. Jentschura and Vladimir A. Yerokhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 07 June 2006
Abelian and non-Abelian geometric phases in adiabatic open quantum systems
M. S. Sarandy and D. A. Lidar
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 05 June 2006
Benchmarking high-field few-electron correlation and QED contributions in Hg75+ to Hg78+ ions. II. Theory
Z. Harman, I. I. Tupitsyn, A. N. Artemyev, U. D. Jentschura, C. H. Keitel, J. R. Crespo López-Urrutia, A. J. González Martínez, H. Tawara, and J. Ullrich
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 5 , published: 23 May 2006
Observing angular precession of a Rydberg wave packet due to spin-orbit coupling by orthogonally polarized weak half-cycle pulses
H. Wen, S. N. Pisharody, J. M. Murray, and P. H. Bucksbaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 5 , published: 15 May 2006
Quantization of the canonically conjugate pair angle and orbital angular momentum
H. A. Kastrup
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 5 , published: 12 May 2006
Single-particle kinetic energy in density-functional theory: Harmonic confinement in two and three dimensions
N. H. March
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 4 , published: 20 April 2006
Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence
Paola Gori-Giorgi and Andreas Savin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 3 , published: 13 March 2006
Method for obtaining exact solutions of the nonlinear Schrödinger equation for a double-square-well potential
P. Zi, E. Infeld, M. Matuszewski, G. Rowlands, and Marek Trippenbach
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 2 , published: 08 February 2006
Geometric phases for laser-induced aligned pendular states of linear molecules
Dmitriy V. Aleynikov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 2 , published: 08 February 2006
Variational energy functionals of the Green function and of the density tested on molecules
Nils Erik Dahlen, Robert van Leeuwen, and Ulf von Barth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 31 January 2006
Boundary solutions of the two-electron Schrödinger equation at two-particle coalescences of the atomic systems
E. Z. Liverts, M. Ya. Amusia, R. Krivec, and V. B. Mandelzweig
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 31 January 2006
Smooth controllability of infinite-dimensional quantum-mechanical systems
Re-Bing Wu, Tzyh-Jong Tarn, and Chun-Wen Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 31 January 2006
Atomic Josephson vortices
V. M. Kaurov and A. B. Kuklov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 30 January 2006
Extended Bose-Hubbard model with incompressible states at fractional numbers
H. Heiselberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 30 January 2006
Fault-tolerant Landau-Zener quantum gates
C. Hicke, L. F. Santos, and M. I. Dykman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 30 January 2006
Scattering of an evanescent light field by a single cesium atom near a nanofiber
Fam Le Kien, V. I. Balykin, and K. Hakuta
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 27 January 2006
Exact-exchange time-dependent density-functional theory with the frequency-dependent kernel
Yasuteru Shigeta, Kimihiko Hirao, and So Hirata
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 24 January 2006
Generalized Thomas-Reiche-Kuhn sum rule
Bing-Lu Zhou, Jiong-Ming Zhu, and Zong-Chao Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 24 January 2006
Proposal for a modified Møller-Plesset perturbation theory
Alejandro Cabo, Francisco Claro, Eduardo Menéndez-Proupin, Norge Cruz-Hernández, and Javier Fernández-Sanz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 23 January 2006
Effects of finite temperature on the Mott-insulator state
Guido Pupillo, Carl J. Williams, and Nikolay V. Prokof'ev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 20 January 2006
Differential atom interferometry beyond the standard quantum limit
K. Eckert, P. Hyllus, D. Bruß, U. V. Poulsen, M. Lewenstein, C. Jentsch, T. Müller, E. M. Rasel, and W. Ertmer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 18 January 2006
Quantum-size effects in the energy loss of charged particles interacting with a confined two-dimensional electron gas
A. G. Borisov, J. I. Juaristi, R. Díez Muiño, D. Sánchez-Portal, and P. M. Echenique
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 17 January 2006
Dynamic response of an ultracold Fermi gas near the Feshbach resonance
W. Yi and L.-M. Duan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 11 January 2006
Two-body problem in periodic potentials
M. Wouters and G. Orso
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 11 January 2006
Semiquantum versus semiclassical mechanics for simple nonlinear systems
A. J. Bracken and J. G. Wood
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 10 January 2006
Erratum: Quantum theory for generation of nonclassical photon pairs by a medium with collective atomic memory [Phys. Rev. A 72, 043806 (2005)]
Narek Sisakyan and Yuri Malakyan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 09 January 2006
Heisenberg optical near-field microscope
Aurélien Drezet, Andreas Hohenau, and Joachim R. Krenn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 09 January 2006
О природе волновых функций
Прохоров Л.В.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2006, No: 4 , published: 01 January 2006
Токовая модель релаксации спаренных мод молекул CO[2]
Файзулаев В.Н.
Кpатк. сообщ. по физ. ФИAН, Vol: 2006, No: 4 , published: 01 January 2006
Work fluctuation theorems and single-molecule biophysics
Jarzynski Christopher
Progr. Theor. Phys. Suppl., Vol: 2006, No: 165 , published: 01 January 2006
Analysis of the errors in explicitly correlated electronic structure theory
May Andrew J./Valeev Edward/Polly Robert/Manby Frederick R.
Phys. Chem. Chem. Phys., Vol: 7, No: 14 , published: 09 June 2005
A simple description of the spectra of confined hydrogen, helium, and lithium
Patil S.H./Varshni Y.P.
Can. J. Phys., Vol: 82, No: 8 , published: 07 May 2005
Time and ensemble averages in Bohmian mechanics
Aharonov Y./Erez N./Scully M.O.
Phys. scr., Vol: 69, No: 2 , published: 29 April 2005
Wave mechanics in quantum phase space: harmonic oscillator
Lu J.
Phys. scr., Vol: 69, No: 2 , published: 29 April 2005
Perspectives on the fano resonance formula
Rau A.R.P.
Phys. scr., Vol: 69, No: 1 , published: 29 April 2005
Специальный выбор системы координат в теории двухэлектронного атома
Киселев А.А.\Юрова И.Ю.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2005, No: 3 , published: 01 January 2005
Система квантово-химических программ "ПРИРОДА-04". Новые возможности исследования молекулярных систем с применением параллельных вычислений
Лайков Д.Н.\Устынюк Ю.А.
Изв. РАН. Сер. хим., Vol: 2005, No: 3 , published: 01 January 2005
Lanczos subspace filter diagonalization: Homogeneous recursive filtering and a low-storage method for the calculation of matrix elements
Zhang Hong, Smith Sean C.
Phys. Chem. Chem. Phys., Vol: 3, No: 12 , published: 01 January 2005
Расчет атомных потенциалов в приближении оболочечной модели
Коршунов Ф.П.\Лазарь А.П.
Поверхность. Рентген., синхротрон. и нейтрон. исслед., Vol: 2004, No: 4 , published: 01 January 2004
Описание структур бериллия (новые модельные представления)
Гусев В.П.\Орлов П.С.\Земсков А.А.
Физ. мысль России, Vol: 2003, No: 1 , published: 01 January 2003
Матричное квантование диссипативных рэлеевских систем
Исаев В.И.
Физ. мысль России, Vol: 2003, No: 1 , published: 01 January 2003
О зависимости особых решений одномерных нелинейных уравнений типа Шредингера от параметров задачи
Френкин А.Р.
Вестн. МГУ. Сер. 3, Vol: 1999, No: 2 , published: 01 January 1999
О симметрии одномерной кулоновой задачи
Богатырев К.Н., Макаров В.П.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 1999, No: 9 , published: 01 January 1999
Верхние и нижние вариационные оценки в расчетах трехчастичных систем с экспоненциальными пробными функциями
Дончев А.Г., Колесников Н.Н., Тарасов В.И.
Вестн. МГУ. Сер. 3, Vol: 1999, No: 2 , published: 01 January 1999
Комбинированный метод монте-карловских интегралов по траекториям для расччетов характеристик квантовых малочастичных систем
Чернов К.Б., Немнюгин С.А.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 1999, No: 3 , published: 01 January 1999
Interaction between a moving atom and an electromagnetic wave
Zhang Jing-tao, Chen Zhao-yang, Xu Zhi-zhen
Acta phys. sin. Overseas Ed., Vol: 8, No: 10 , 1999
Comment on "An underrated entanglement: Riccati and Schrodinger equations", by S.B. Haley [Am. J. Phys. 65 (3), 237-243 (1997)]
Stahlhofen A.A.
Am. J. Phys , Vol: 67, No: 3 , 1999
A unified approach to constrained mechanical systems as implicit differential equations
Barone F., Grassini R., Mendella G.
Ann. Inst. H. Poincare. Phys. theor, Vol: 70, No: 6 , 1999
Understanding multicentre electron orbitals by electron momentum spectroscopy
McCarthy Ian E., Vos Maarten
Austral. J. Phys., Vol: 52, No: 3 , 1999
Derivation of conditionally exactly solvable potentials from quasi-exactly solvable ones and determination of its bund states
Karim Safayet, Chowdhury Karim
Indian J. Phys. A., Vol: 73, No: 5 , 1999
Rodrigues formula for the nonsymmetric multivariable hermite polynomial
Unjino Hideaki, Wadati Miki
J. Phys. Soc. Jpn., Vol: 68, No: 2 , 1999
Impediments to mixing classical and quantum dynamics
Caro J., Salcedo L. L.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Quantum correlations are not contained in the initial state
Cabello Adan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Quantum extension of conditional probability
Cerf N. J., Adami C.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Reduction criterion for separability
Cerf N. J., Adami C., Gingrich R. M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Comment on "Consistency, amplitudes, and probabilities in quantum theory"
Finkelstein J.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Reply to "Comment on `Consistency, amplitudes, and probabilities in quantum theory` "
Caticha Ariel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
One-dimensional Thomas-Fermi model of atoms, molecules, and small clusters exposed to an intense laser field
Brewczyk Miroslaw, Rzazewski Kazimierz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 3 , 1999
Optimization of Gaussian basis sets for density-functional calculations
Porezag Dirk, Pederson Mark R.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 4 , 1999
Contradiction of quantum mechanics with local hidden variables for quadrature phase measurements on pair-coherent states and squeezed macroscopic superpositions of coherent states
Gilchrist A., Deuar P., Reid M. D.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Geometric phase in relativistic quantum theory
Wang Zheng-Chuan, Li Bo-Zang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Strong-interaction limit of density-functional theory
Seidl Michael
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Comparison of contracted Schrodinger and coupled-cluster theories
Mazziotti David A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Anomalous transport and quantum-classical correspondence
Sundaram Bala, Zaslavsky G. M.
Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 6 , 1999
Probability distributions and Hilger spaces: quantum and classical systems
Man`ko V.I., Marmo G.
Phys. scr., Vol: 60, No: 2 , 1999
Adiabatic theorem violation for degenerate energy levels
Man`ko V.I., Seligman T.
Phys. scr., Vol: 60, No: 2 , 1999
Связь между квантово-механическим и классическим описанием строения ядерно-электронных систем (молекул, молекулярных ионов, кристаллов, макротел)
Татевский В.М.
Ж. физ. химии, Vol: 73, No: 9 , 1999
Метод приближенного континуального интегрирования и некоторые его приложения
Жидков Е.П., Лобанов Ю.Ю.
Мат. моделир., Vol: 11, No: 5 , 1999
Расчеты атомно-молекулярных систем с учетом требования гашения кулоновских сингулярностей
Ребане Т.К., Марковский Н.Д.
Оптика и спектроскопия, Vol: 87, No: 3 , 1999
Сочетание теории возмущений с методом конечного поля в расчетах нелинейных оптических восприимчивостей атомов и молекул
Штофф А.В., Адамов М.Н., Гусаров С.И., Дмитриев Ю.Ю.
Оптика и спектроскопия, Vol: 87, No: 3 , 1999
Разность фаз между двумя квантовыми гармоническими осцилляторами
Зедерхольм Й., Бьерк Г.
Оптика и спектроскопия, Vol: 87, No: 4 , 1999
Multiphoton interaction of a two-level atom with a large period quantized standing wave field beyond the raman-nath regime
Wang Xiao-guang, Yu Rong-jin
Acta phys. sin. Overseas Ed., Vol: 8, No: 2 , 1999
Screening effect of the spin distribution in the atoms of hydrogen and alkali metals under the disturbance of a strong periodic magnetic field
Zhang Zhong-can, Hu Chen-guo, Fang Zhen-yun
Acta phys. sin. Overseas Ed., Vol: 8, No: 2 , 1999
Interaction of a a-type three-level atom with a two-mode field and a two-mode raman-coupled model
Zhang Zhi-ming, He Lin-sheng, Zhou Shi-kang
Acta phys. sin. Overseas Ed., Vol: 8, No: 2 , 1999
Influence of the dipole-dipole interaction between atoms on the phase properties of light
Tian Yong-hong, Peng Jin-sheng, Xu Da-hai, Ha Li-bo
Acta phys. sin. Overseas Ed., Vol: 8, No: 4 , 1999
Quantum erasure in double-slit interferoemters with shich-way detectors
Englert Berthold-Georg, Scully Marlan O., Walther Herbert
Am. J. Phys , Vol: 67, No: 4 , 1999
The dynamics of two-electron atoms
Briggs John S.
Austral. J. Phys., Vol: 52, No: 3 , 1999
Quantum chaos in multicharged ions and statistical approach to the calculation of electron-ion resonant radiative recombination
Gribakin G.F., Gribakina A.A., Flambaum V.V.
Austral. J. Phys., Vol: 52, No: 3 , 1999
A Hartree-Fock program for atomic structure calculations
Mitroy J.
Austral. J. Phys., Vol: 52, No: 6 , 1999
Wood-Boring ab initio model potential relativistic treatment of Ce and CeO
Diaz-Megias Simon, Seijo Luis
Chem. Phys. Lett., Vol: 299, No: 6 , 1999
Bound states by the spinless Salpeter equation
Lucha W., Schoberl F.F.
Fizika. B., Vol: 8, No: 1 , 1999
Self-consistent method of determining the pressure dependent effective mass of a helium atom in normal liquid {3}He
Singh R.P., Mishra L.K.
Indian J. Pure and Appl. Phys., Vol: 35, No: 6 , 1999
q-deformed quantized oscillator. I. Specific heats of cesium and rubidium
John A., Devanarayanan S.
Indian J. Pure and Appl. Phys., Vol: 35, No: 6 , 1999
D-dimensional q-harmonic oscillator and d-dimensional q-hydrogen ato
Ka-Lin Su, An-ling Liu
Int. J. Theor. Phys., Vol: 38, No: 9 , 1999
Perturbation-WKB approximation: quantum defect for highly excited states of alkali metal atom
Lu Shu-Cheng, Wang Bin
Nuovo cim. B., Vol: 114, No: 6 , 1999
Positron and positronium affinities in the work-formalism Hartree-Fock approximation
Zope Rajendra R.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 1 , 1999
Pade approximant approach to the Thomas-Fermi problem
Epele L. N., Fanchiotti H., Canal C. A. Garcia, Ponciano J. A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 1 , 1999
Sturmian basis functions for the harmonic oscillator
Antonsen Frank
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Entanglement of projection and a new class of quantum erasers
Garisto Robert, Hardy Lucien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Quantum logic operations based on photon-exchange interactions
Franson J. D., Pittman T. B.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Equal-factor approach to perturbation theory
Chen Guo F.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Quantum local-field corrections and spontaneous decay
Scheel Stefan, Knoll Ludwig, Welsch Dirk-Gunnar, Barnett Stephen M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Centrifugal terms in the WKB approximation and semiclassical quantization of hydrogen
Hainz Joachim, Grabert Hermann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Approaching the classical limit in the diamagnetic helium atom
Karremans K., Vassen W., Hogervorst W.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 3 , 1999
Enhancement of parity and time invariance violation in the radium atom
Flambaum V. V.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 4 , 1999
Simple method for constructing accurate atomic Kohn-Sham potentials
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 5 , 1999
Density-functional-theory calculations of the total energies, ionization potentials, and optical response properties with the van Leeuwen-Baerends potential
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 5 , 1999
Quantum interference in a driven two-level atom
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Relativistic many-body calculations of energy levels, hyperfine constants, electric-dipole matrix elements, and static polarizabilities for alkali-metal atoms
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Approximate wave functions for two electrons in the continuum of a Coulomb charge
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Saturated transitions in exactly soluble models of two-state curve crossing with time-dependent potentials
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Relativistic effects in the photoionization of Ne-like iron
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Dynamic algebraic approach to the system of a three-level atom in the Λ configuration
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
High-resolution laser spectroscopy of diamagnetic helium in the chaotic regime
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Guiding cold atoms in a hollow laser beam
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Integral boundary conditions for the time-dependent Schrodinger equation: Atom in a laser field
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Rigorous forward-backward semiclassical formulation of many-body dynamics
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Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 5 , 1999
Construction of energy matrix for complex atoms. Part 2
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Phys. scr., Vol: 59, No: 1 , 1999
Phase properties of a field mode interacting with a three-level atom with kerr nonlinearity
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Phys. scr., Vol: 60, No: 4 , 1999
Standard atomic opertors and coulomb interaction operator in the quasispin space
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Phys. scr., Vol: 60, No: 5 , 1999
Atomic and molecular calculations made easy and very accurate
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High precision theory of atomic helium
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ξ-ζ relation
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Inverse theory of Schrodinger matrices
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Calogero-moser modesl. IV. Limits to toda theory
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Progr. Theor. Phys., Vol: 102, No: 4 , 1999
Dynamical investigation on momentum spread of two-level atoms by a modulated standing light wave
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Acta phys. sin., Vol: 48, No: 11 , 1999
Realization of a spin-type GHZ state via the Jaynes-Cummings model with large detuning
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Acta phys. sin., Vol: 48, No: 4 , 1999
Quantum jump and continuous measurement in multi-level atom
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Acta phys. sin., Vol: 48, No: 5 , 1999
Об асимптотическом коэффициенте для атомов и ионов
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Докл. РАН, Vol: 365, No: 3 , 1999
Куперовские пары и осреднение операторов в неидеальном бозе-газе
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Ж. техн. физ., Vol: 69, No: 8 , 1999
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Ж. техн. физ., Vol: 69, No: 9 , 1999
К проблеме случайного вырождения термов в d-оболочке
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Взаимодействие атома со сверхсильными лазерными полями
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Диамагнитные восприимчивости третьего порядка водопроводных атомов
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Ж. эксперим. и теор. физ., Vol: 116, No: 3 , 1999
Расчет энергий переходов между основными уровнями различных электронных конфигураций в лантанидах
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Оптика и спектроскопия, Vol: 86, No: 1 , 1999
Точное решение задачи о многоквантовых резонансах в зеемановской структуре атомов {133}Cs и {6}Li
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Оптика и спектроскопия, Vol: 86, No: 1 , 1999
Эффектный гамильтониан для валентных электронов атома
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Оптика и спектроскопия, Vol: 87, No: 3 , 1999
"Одевание" "одетых" состояний
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Оптика и спектроскопия, Vol: 87, No: 5 , 1999
Подход управляющего уравнения к проблеме двухуровневого атома в сжатом вакууме с конечной шириной спектра
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Оптика и спектроскопия, Vol: 87, No: 5 , 1999
Обобщенная постановка задачи на собственные значения в релятивисткой теории атомов
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Оптика и спектроскопия, Vol: 87, No: 5 , 1999
Спектральные разложения функции Грина в непрерывном спектре по функциям штурмовского типа
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Оптика и спектроскопия, Vol: 87, No: 5 , 1999
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Оптика и спектроскопия, Vol: 87, No: 5 , 1999
Взаимодействие орбита-орбита в двухэлектронных матрицах оператора энергии конфигураций с p- и f-электронами
Анисимова Г.П., Капелькина Е.Л.
Оптика и спектроскопия, Vol: 87, No: 6 , 1999
H[3]{++} molecular ions can exist in strong magnetic fields
Turbiner A., Lopez J.-C., Solis U.H.
Письма в ЖЭТФ, Vol: 69, No: 11-12 , 1999
Спектр двухфотонной флюоресценции в системе атом + диэлектрическая микросфера
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Письма в ЖЭТФ, Vol: 70, No: 3-4 , 1999
Новая сила трения, обусловленная спонтанным световым давлением
Прудников О.Н., Тайченачев А.В., Тумайкин А.М., Юдин В.И.
Письма в ЖЭТФ, Vol: 70, No: 7-8 , 1999
Энергетические и угловые распределения фотоэлектронов при многофотонной ионизации
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Письма в ЖЭТФ, Vol: 70, No: 7-8 , 1999
Одноэлектронное уравнение Шредингера для многоэлектронных систем
Гинзбург Л.П.
Теор. и мат. физ., Vol: 121, No: 3 , 1999
К истории развития теории туннельной ионизации атомов и ионов
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Успехи физ. наук, Vol: 169, No: 7 , 1999
Радиационный логарифм в модели Хартри-Фока
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Ядер. физ., Vol: 62, No: 11 , 1999
Laser-controlled state excitation and quantum computation
Zhang Deng-yu, Zhan Ming-sheng
Acta phys. sin. Overseas Ed., Vol: 8, No: 4 , 1999
The geometry and mechanics of multi-particle systems
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Ann. Inst. H. Poincare. Phys. theor, Vol: 70, No: 5 , 1999
Spin equation and its solutions
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Ann. Phys., Vol: 1, No: 11-12 , 1999
Erratum: Vibration-rotation calculations for H[3]{+} using a Morse-based discrete variable representation
Watson James K.G.
Can. J. Chem, Vol: 72, No: 9-10 , 1999
Adiabatic correction to the energy of molecular systems: the CPHF equivalent of the Born-Handy formula
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Chem. Phys. Lett., Vol: 299, No: 2 , 1999
Combined diffusion quantum Monte Carlo-vibrational self-consistent field (DQMC-VSCF) method for excited vibrational states of large polyatomic systems
Broude Sharon, Jung Joon O., Gerber R.B.
Chem. Phys. Lett., Vol: 299, No: 5 , 1999
Some remarks on multi-center bond index
Sannigrahi A.B., Kar Tapas
Chem. Phys. Lett., Vol: 299, No: 5 , 1999
On the implicit integral character of Roothaan`s expansion
DaCosta H.F.M., Trsic M., da Silva A.B.F., Simas A.M.
Eur. Phys. J. D, Vol: 5, No: 3 , 1999
Computation of Raynal-Revai coefficients for the hyperspherical approach to a three-body system
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Fizika. B., Vol: 8, No: 4 , 1999
Feynman path integral and toeplitz quantization
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Helv. phys. acta, Vol: 72, No: 5-6 , 1999
Applications of a property of the Schrodinger equation to the modeling of cosnervative discrete systems. III
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J. Phys. Soc. Jpn., Vol: 68, No: 9 , 1999
Bound-state solutions of the Schodinger equation for central-cymmetric confining potehtials
Simsek M., Ozcelik S., Musakhanov M.M. et al.
Nuovo cim. B., Vol: 114, No: 9 , 1999
Vector parametrization of the N-atom problem in quantum mechanics with non-orthogonal coordinates
Iung Christophe, Gatti Fabien, Viel Alexandra, Chapuisat Xavier
Phys. Chem. Chem. Phys., Vol: 1, No: 15 , 1999
Group functions, Lowdin partition, and hybrid QC/MM methods for large molecular systems
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Phys. Chem. Chem. Phys., Vol: 1, No: 6 , 1999
Supersymmetric quantum mechanics with nonlocal potentials
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 2 , 1999
Continued-fraction expansion of the Born-Oppenheimer potential-energy function for diatomic molecules
Molski Marcin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 4 , 1999
Density-functional study of small molecules within the Krieger-Li-Iafrate approximation
Kim Yong-Hoon, Stadele Martin, Martin Richard M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 5 , 1999
Detection and analysis of interloping molecular resonances
Ballance C. P., Berrington K. A., McLaughlin B. M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions
Laerdahl Jon K., Schwerdtfeger Peter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Vibronic theory for the x-ray absorption spectrum of CF[4] molecules
Itoh Shin-ichi, Tanaka Satoshi, Kayanuma Yosuke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Comment on "Mean-field approach to the algebraic treatment of molecules: Bent molecules"
Kuyucak Serdar
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 6 , 1999
Monte Carlo quasi-heat-bath by approximate inversion
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Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 3 , 1999
Trace formula of quantum Liouville operator
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Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 4 , 1999
Level fluctuations in quantum systems with multifractal eigenstates
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Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 4 , 1999
Scar and antiscar quantum effects in open chaotic systems
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Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 5 , 1999
Some consequences of exchangeability in random-matrix theory
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Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 6 , 1999
Slow algebraic relaxation in quartic potentials and related results
Sinkovits Robert S., Sen Surajit, Phillips James Christopher, Chakravarti Soumya
Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 6 , 1999
Two-particle problem in a nonequilibrium many-particle system
Bornath Th., Kremp D., Schlanges M.
Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 60, No: 6 , 1999
Energy-sensitive and "classical-like" distances between quantum states
Dodonov V.V., Man`ko O.V., Man`ko V.I., Wunsche A.
Phys. scr., Vol: 59, No: 2 , 1999
Exact solutions of the Schrodinger equationfor two deformed hyperbolic molecular potentials
Egrifes Harun, Demirhan Dogan, Buyukkilic Fevzi
Phys. scr., Vol: 60, No: 3 , 1999
The operator method of solution of the non-relativistic Schrodinger equation for Few-Body systems with a Pair-Wise interaction
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Phys. scr., Vol: 60, No: 3 , 1999
Pseudo-spectra, the harmonic oscillator and complex resonances
Davies E.B.
Proc. Roy. Soc. London. A, Vol: 455, No: 1982 , 1999
Complexity and scaling of frequency plateaus in chains of coupled nonlinear oscillators
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Progr. Theor. Phys., Vol: 102, No: 1 , 1999
Exactly solvable potential with four parameters for diatomic molecules
Sun Jiu-xun
Acta phys. sin., Vol: 48, No: 11 , 1999
Dynamical symmetry group for vibrational spectra of triatomic molecules
Zheng Yu-jun, Ding Shi-liang
Acta phys. sin., Vol: 48, No: 3 , 1999
Атомы в молекулах и квантовомеханическая интерпретация понятий классической теории химического строения
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Вестн. МГУ. Сер. 2, Vol: 40, No: 2 , 1999
Структура и колебательные спектры кластеров H[2]S×(H[2]O)[n]
Шабатина А.В., Немухин А.В.
Вестн. МГУ. Сер. 2, Vol: 40, No: 3 , 1999
Масштабирование кулоновского взаимодействия в расчетах электронных спектров комплексов переходных металлов
Зильберберг И.Л., Милов М.А., Жидомиров Г.М.
Ж. структур. химии, Vol: 40, No: 1 , 1999
Качественное описание нежетских движений в молекуле НООН
Буренин А.В.
Ж. структур. химии, Vol: 40, No: 1 , 1999
Квантовохимические расчеты молекул в приближении ПДДП. Сравнение модифицированной версии и метода AM1
Заец В.А., Герда В.И., Горлов Ю.И., Клименко В.Е.
Ж. структур. химии, Vol: 40, No: 1 , 1999
Метод Хартри-Фока и развитие квантовой химии
Степанов Н.Ф.
Ж. физ. химии, Vol: 73, No: 10 , 1999
Классический пропагатор иона в ловушке Пеннинга и процесса вынужденного комбинационного рассеяния
Манько О.В.
Изв. РАН. Сер. физ., Vol: 63, No: 6 , 1999
Преобразование эффективного гамльитониана нежестких молекул типа X[2]Y в случае парных резонансов
Стариков В.И.
Оптика атмосферы и океана, Vol: 12, No: 2 , 1999
Секстичные константы центробежного искажения в приближении локальных мод
Улеников О.Н., Юрченко С.Н.
Оптика атмосферы и океана, Vol: 12, No: 2 , 1999
Исследование энергии симметричных мезомолекул
Ребане Т.К.
Оптика и спектроскопия, Vol: 86, No: 1 , 1999
Описание полной картины нежестких движений необменного типа в молекуле гидразина N[2]H[4]
Буренин А.В.
Оптика и спектроскопия, Vol: 86, No: 1 , 1999
Основное состояние оптического биполярона (квазимолекулярного димера) промежуточной силы связи
Мухоморов В.К.
Оптика и спектроскопия, Vol: 86, No: 1 , 1999
Пертурбационная схема определения энергии возбуждения в электронных спектрах молекул с открытыми оболочками
Глушков В.Н., Цауне А.Я.
Оптика и спектроскопия, Vol: 87, No: 2 , 1999
Динамические неинвариантные группы симметрии при описании внутримолекулярных движений
Буренин А.В.
Оптика и спектроскопия, Vol: 87, No: 6 , 1999
Метод сокращенного квазиклассического описания
Лобашев А.А., Трунов Н.Н.
Теор. и мат. физ., Vol: 120, No: 1 , 1999
Исправление к статье Е.П. Величевой, А.А. Сузько (ТМФ. 1998. Т. 115. N 3. С. 410-418)

Теор. и мат. физ., Vol: 121, No: 3 , 1999
Квантовые компьютеры: можно ли их сделать "большими"?
Валиев К.А.
Успехи физ. наук, Vol: 169, No: 6 , 1999
Study on the small representations of 230 space groups by computer
Son Ri Kwang, Nam Kim Chol, Hwan Kim Il
Bull. Georg. Sci., Vol: 1998, No: 3 , published: 01 January 1998
Strong nonlinear solution on nonlinear schroedinger equation
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Bull. Georg. Sci., Vol: 1998, No: 4 , published: 01 January 1998
Спектральная задача для радиального уравнения Шредингера с удерживающими типами потенциалов
Вшивцев А.С., Прокопов А.В., Сорокин В.Н., Татаринцев А.В.
Вестн. МГУ. Сер. 3, Vol: 1998, No: 1 , published: 01 January 1998
Особые решения нелинейных уравнений типа Шредингера специального вида
Баринова Е.Г., Корниенко А.Г., Френкин А.Р., Чижов Г.А.
Вестн. МГУ. Сер. 3, Vol: 1998, No: 1 , published: 01 January 1998
Example of mass-energy relation: Classical hydrogen atom accelerated or supported in a gravitational field
Boyer Timothy H.
Am. J. Phys , Vol: 66, No: 10 , 1998
The hydrogen atom as an entangled electron-proton system
Tommasini Paolo, Timmermans Eddy, de Toledo Piza A.F.R.
Am. J. Phys , Vol: 66, No: 10 , 1998
On the dynamical meaning of spectral dimensions
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Ann. Inst. H. Poincare. Phys. theor, Vol: 68, No: 4 , 1998
Formal theory of multiphoton double ionization: Seqyabtial and direct
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Can. J. Phys., Vol: 76, No: 6 , 1998
On the efficiency of an effective Hamiltonian in spin-orbit CI calculations
Schimmelpfennig Bernd, Maron Laurent, Wahlgren Ulf, Teichteil Christian, Fagerli Hilde, Gropen Odd
Chem. Phys. Lett., Vol: 286, No: 3-4 , 1998
Spontaneous symmetry breaking in Bose-Einstein condensates
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Motion of wave-packets using the smooth-exterior-scaling complex potential
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Accurate approximate analytical solutions for a double-well potential
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Accurate finite-element multi-grid (FEM-MG) description for angular momentum and spin dependences of Kohn-Sham density functionals for axially restricted calculations on first-row atoms and dimers
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Gradient correction to the exchange pair-correlation function of the weighted spin-density approximation in the density functional formalism
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Limitations on the superposition principle: Superselection rules in non-relativistic quantum mechanics
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Eur. J. Phys. , Vol: 19, No: 3 , 1998
Is the EPR paradox really a paradox?
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Heisenberg picture operators in the stochastic wave function approach to open quantum systems
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Quantum Zenon effects in composite systems
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Canonical dressing in the multimode two-quantum Jaynes-Cummings model
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Eur. Phys. J. D, Vol: 1, No: 1 , 1998
Expansions for the eigenvalues of three-term recurrence relations. Two applications in molecular physics
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Eur. Phys. J. D, Vol: 4, No: 1 , 1998
Exact two-loop vacuum polarization correction to the Lamb shift in hydrogenlike ions
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Semiclassical description of resonant tunneling
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Theoretical prediction and experimental verifications of the new chemical species of Magnecules
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Kinetic energy density in terms of electron density for closed-shell atoms in a bare Coulomb field
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General hybrid density functional theory
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The high-n form of the radiation-damped S-matrix
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State-to-state transition probabilities for time-dependent Hamiltonians using complex absorbing potentials
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Derivations of universal exact complex absorption potentials by the generalized complex coordinate method
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Experimental demonstration of quantum correlations over more than 10 km
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Exact boundary conditions at finite distance for the time-dependent Schrodinger equation
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Effective pure states for bulk quantum computation
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Meaurement of time of arrival in quantum mechanics
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Minimal irreversible quantum mechanics: The mixed states and the diagonal singularity
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Algebraic approach to shape invariance
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Multiplicative semiclassical dynamics and the quantization time
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Boser-Einstein condensation in harmonic oscillator potentials
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The revised modulational instability criterion. I. The mono-inductance transmission line
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The evolution of harmonic oscillator Wigner functions described by the use of group representations
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Atomic beamsplitter based on Raman transitions on four standing light waves
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Quantum measurement eigenkets for continuous-time direct detection
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Preventing decoherence during quantum key distribution using the coherence-preserving state of a quantum bit
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Mathematical structure of quasi-SU(2) coherent state and its antibunching effect
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Classical monopoles: Newton, NUT space, gravomagnetic lensing, and atomic spectra
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Об асимптотике матрицы плотности в теории большого числа полей
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Mechanical force in laser cooling and trapping
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Ann. Inst. H. Poincare. Phys. theor, Vol: 68, No: 4 , 1998
Conditionally exactly solvable potentials: a supersymmetric construction method
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Quantum dynamics of cold trapped ions with application to quantum computation
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Corrections to the semiclassical approximation by numerical evaluation of real time path integrals in complex space
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Chem. Phys. Lett., Vol: 285, No: 5-6 , 1998
On the combination of ECP-based CI calculations with all-electron spin-orbit mean-field integrals
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Shannon-Gabor wavelet distributed approximating functional
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On perturbation expansions of the extended Koopmans` theorem
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Spin-restricted density functional approach to the open-shell problem
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Renormalization group approach for electronic excitations in atoms
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Wannier-type orbitals derived from Mulliken`s population analysis
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Exchange and correlation Kohn-Sham functionals for the helium atom: locality and homogeneity
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On a constant of motion for the Stark problem in its classical version
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Eur. Phys. J. D, Vol: 2, No: 2 , 1998
Temporal coherent control induced by wave packet interferences in one and two photon atomic transitions
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WKB for a damped spin
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On the continuity in energy of the free-bound one-photon cross-sections
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Eur. Phys. J. D, Vol: 3, No: 2 , 1998
Theoretical study of collisional redistribution of light near the resonance of the Ba, Sr and Mg atoms perturbed by He and Ne
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Eur. Phys. J. D, Vol: 3, No: 2 , 1998
Adiabatic population transfer in multistate chains via dressed intermediate states
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Eur. Phys. J. D, Vol: 4, No: 1 , 1998
Resonant widths, line intensities and lineshapes for MQDT models with two or more open channels
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Eur. Phys. J. D, Vol: 4, No: 1 , 1998
Stimulated Raman adiabatic passage with amplitude modulated fields
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Quantum wires and quantum dots for neutral atoms
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Phase dynamics of Bose-Einstein condensates: Losses versus revivals
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Eur. Phys. J. D, Vol: 4, No: 3 , 1998
Amplification of atomic L-R asymmetries by stimulated emission: Experimental demostration of sensitivity enhancement valuable for parity violation measurements
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Eur. Phys. J. D, Vol: 1, No: 2 , 1998
Nonlinear polarizabilities of atoms from their ground-state densities
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Eur. Phys. J. D, Vol: 1, No: 3 , 1998
Steady state of atoms in a monochromatic elliptically polarized light field
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Trial wave functions induced by the minimum mean deviation from statistical equilibrium
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Semiclassical self-consistent field perturbation theory for the hydrogen atom in a magnetic field
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Generation of explicit electron correlation functional by means of local scaling transformations
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Hartree-Fock calculations in the context of the local-scaling transformation version of density functional theory. Applications to the lithium and beryllium atoms
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Polynomial and Pade representations for the kinetic component T[c][ρ] of the correlation energy density functional
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A new Wigner-like correlation-energy functional from coordinate scaling requirements
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Virial exchange-correlation energy density in Hooke`s atom
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Density functional theory in relation to X-ray and neutron scattering experiments
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1/Z expansion, correlation energy, and Shannon entropy of heavy atoms in nonrelativistic limit
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Perspectives for Java-based computational quantum chemistry
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Atomic calculations with an augmented Fourier basis
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Full variational molecular orbital method: application to the positron-molecule complexes
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Unambiguous exchange-correlation energy density for hooke`s atom
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SCF calculations with density-dependent local-exchange potential
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Analytical asymptotic structure of the pauli, coulomb, and correlation-kinetic components of the KohnSham theory exchange-correlation potential in atoms
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Excited states in density functional theory
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Optimal decoupling of positive- and negative-energy orbitals in relativistic electronic structure calculations beyond hartree-fock
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Second-order multiconfigurational dirac-fock calcualtions on boronlike ions
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Isomorphism transformation between the hydrogen atom and four-dimensional harmonic oscillator
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Energy spectrum of a two-parameter deformed hydrogen atom
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Int. J. Theor. Phys., Vol: 37, No: 12 , 1998
U(2) algebraic model applied to stretching vibrational spectra of tetrahedral molecules
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Transformations of single and double hypergeometric series from the triple sum series for the 9-j coefficient
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Quantum mechanics based on probability wave functions induced by the minimum mean deviation from statistical equilibrium. II
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Int. J. Theor. Phys., Vol: 37, No: 3 , 1998
Hydrogen atom in N dimensions
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Int. J. Theor. Phys., Vol: 37, No: 4 , 1998
Jaynes-Cummings model and trappings of atoms
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Collisional-dephasing and Doppler-broadening effects on quantum interference in a Vee atomic system
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J. Opt. Soc. Am. B, Vol: 15, No: 10 , 1998
An atom in a superstrong laser field
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J. Phys. A, Vol: 31, No: 13 , 1998
Wannier below-threshold L = 1 or 2 doubly excited He{-} states
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Wannier below-threshold L = 1 or 2 doubly excited He{-} states
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On the overlap integral of associated Legendre polynomials
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New non-unitary representations in a Dirac hydrogen atom
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Asymptotically exact Coulomb spheroidal wavefunctions
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New description of orbital motion with arbitrary angular momenta
Suzuki Y., Usikura J., Varga K.
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Hydrogen atom moving across a strong magnetic field: Analytical approximations
Potekhin A.Y.
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Electron self-energy calculations for tightly bound electrons in atoms
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Two electrons in an external oscillator potential: Exact solution versus one-particle approximations
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Calculations of doubly excited {1,3}F{0} states in helium-like systems using Hylleraas functions
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Numerical calculation of the complex energy of the 1s{2} resonance of a two-electron atom with nuclear charge below the threshold value
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Nondispersing radial Rydberg wavepackets in doubly core-driven two-electron atoms
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Angular momentum in a laser-driven atom
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Breathing mode excitation in near-harmonic systems: resonant mass capture, desorption and atoms in optical lattices
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The structure of the atomic helim trimers: halos and Efimov states
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Theory of generalized damping and quantum interference in multi-level atomic systems
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Atoms in a high-frequency circularly polarized field: a boundary condition problem for the free atom
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Motional dichotomy of a trapped ion
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Coulomb and spin-orbit interaction matrix elements in the d{2}d` configuration
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Highly excited states for the helium atom in the hyperspherical adiabatic approach
De Groote J.J., Masili M., Hornos J.E.
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Probing the quantum state in a cavity via stomic two-photon transitions
Du Si-de, Zhou Lu-wei, Xu Zhi-zhan, Zhang Wen-qi, Li Yuan
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Influence of intrinsic decoherence on nonclassical effects in the nondegenerate bimodal multiquanta Jaynes-Cummings model
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Subshell electron repulsion energies and reciprocal electron-nucleus distances in ground-state atoms
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Simple derivation of helium Lamb shift
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Emission spectrum of two atoms interacting with two modes of the cavity field with different coupling constants through a multiphoton Raman process
Feng J., Song T.-q., Gao Y.-f.
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State-selective optimization of multiconfigurational spin-coupled wavefunctions
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Consistent description of Klein-Gordon dipole matrix elements
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Formation of fundamental structures in Bose-Einstein condensates
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Relativistic recoil correction to hydrogen energy levels
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The stability of Mge{+} and NaPs
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Strong electron correlation in a localized state described in terms of extended states: General formulation and illustration in a helium atom
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The fine structure of the N-dimensional hydrogen atom
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Evidence of physical reality in the Kohn-Sham potential: The case of atomic Ne
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Density-functional-theory response-property calculations with accurate exchange-correlation potentials
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Analytical asymptotic structure of the correlation-kinetic component of the Kohn-Sham exchange-correlation potential in atoms
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Multiparticle entanglement purification protocols
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Contracted Schrodinger equation: Determining quantum energies and two-particle density matrices without wave functions
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Spectrally accurate numerical solution of the single-particle Schrodinger equation
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Differential virial theorem for fractional electron number: Derivative discontinuity of the Kohn-Sham exchnage-correlation potential
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Unified construction of variational R-matrix methods for the Dirac equation
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Stable bound states of e{+} + Li and e{+} + Na
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Bose-Einstein condensate in a double-well potential as an open quantum system
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Dynamics of decoherence in continuous atom-optical quantum nondemolition measurements
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Discrete eigenstates of the He{+} ion moving in a strong magnetic field
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Classical limit states of the helium atom
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Franck-Condon principle and the hadronic and muonic Auger effect
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Statistics of electromagnetic tramsitions as a signature of chaos in many-electron atoms
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Spontaneous emission of nondispersive Rydberg wave packets
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Photoassociation intensities and radiative trap loss lithium
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Boundary-condition-determined wave function for the ground state of positronium ion eee
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Quadratically convergent multiconfiguration Dirac-Fock and multireference relativistic configuration-interaction calculations for many-electron systems
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Atomic structure variational calculations in spectroscopy
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Mciromaser on a single atom with optical pumping
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Theoretical methods for the relativistic atomic many-body problem
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Ж. общ. химии, Vol: 68, No: 4 , 1998
Световые сдвиги частоты многофотонного радиооптического СВЧ резонанса в щелочных атомах
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Поляризующие поля в атоме позитрония при излучении или поглощении оптических фотонов
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Двухэлектронные возбуждения гелиеподобных ионов ери неупругом рассеянии фотонов
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Высокие порядки теории возмущений для атома водорода в магнитном поле
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Рассеяние атомов в поле встречных световых волн. Влияние начальных условий
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Исследование двухступенчатого возбуждения автоионизационного состояния атома Ba при двухфотонном возбуждении промежуточного состояния
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Recoil correction to hydrogen energy levels: a revision
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Ж. эксперим. и теор. физ., Vol: 113, No: 3 , 1998
Полевой уширение диффузионного резонанса
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Ионизация атомов в слабых полях и асимптотика высших порядков теории возмущений
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Динамика холодных атомов в квадрупольной магнитной ловушке с вращающимся потенциалом
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Ж. эксперим. и теор. физ., Vol: 114, No: 1 , 1998
Тензорная структура стационарной точки оператора радиационной релаксации атома
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Ж. эксперим. и теор. физ., Vol: 114, No: 1 , 1998
Пересечение квазиуровней в открытой модели Джнейнса-Каммингса
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Ж. эксперим. и теор. физ., Vol: 114, No: 2 , 1998
Фотонный кооперативный эффект в резонансной спектроскопии
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Ж. эксперим. и теор. физ., Vol: 114, No: 2 , 1998
Оптическая накачка селективных по скоростям состояний когерентного пленения населенности в трехуровневых атомах
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Ж. эксперим. и теор. физ., Vol: 114, No: 2 , 1998
Проблема двух электронов во внешнем поле и метод интегральных уравнений в оптике
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Ж. эксперим. и теор. физ., Vol: 114, No: 5 , 1998
Довйной оже-распда 3d-вакансии в Kr
Клини В.А., Лазарев Д.А.
Изв. вузов. Физ., Vol: 41, No: 10 , 1998
Расчет энергии связи в отрицательных ионах щелочно-земельных атомов
Малиновская С.В., Полевой А.Н., Кивганов А.Ф. и др.
Изв. вузов. Физ., Vol: 41, No: 10 , 1998
Вывод формулы тонкой структуры с использованием регуляторных свойств бета-функции Эйлера
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Изв. вузов. Физ., Vol: 41, No: 5 , 1998
К теории "атомного лазера"-источника пучка когерентных атомов
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Изв. РАН. Сер. физ., Vol: 62, No: 2 , 1998
Атомные лазеры
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Изв. РАН. Сер. физ., Vol: 62, No: 2 , 1998
Поляризационные ограничения на подавление атомной релаксации в сжатом поле
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Изв. РАН. Сер. физ., Vol: 62, No: 2 , 1998
Применение фазового метода для определения собственных значений энергии
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Мат. моделир., Vol: 10, No: 10 , 1998
Многоимпульсная лазерная спектроскопия антипротонного гелия, заселенности метастабильных состояний и кинетика распада
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Оптика и спектроскопия, Vol: 84, No: 4 , 1998
Взаимодействие спин-чужая орбита в двухэлектронных конфигурациях С p- и f-электронами. Обменные члены
Анисимова Г.П., Капелькина Е.Л.
Оптика и спектроскопия, Vol: 84, No: 4 , 1998
Многоконфигурационные расчеты электронной структуры Ag[2],Ag[2]{+} с эффективным потенциалом остова. I. Атомные расчеты и построение эффективного потенциала остова Ag
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Оптика и спектроскопия, Vol: 84, No: 3 , 1998
Взаимодействие спин-чужая орбита в двухэлектронных конфигурациях C[p]- и f-электрпонами. Пpямые члены
Анисимова Г.П., Капелькина Е.Л.
Оптика и спектроскопия, Vol: 84, No: 3 , 1998
Эффект обращения времени при намагничивании атома резонансным световым импульсом при наличии постоянного магнитного поля
Алексеев А.И.
Оптика и спектроскопия, Vol: 84, No: 5 , 1998
Двухэлектронные матрицы полного оператора энергии взаимодействия спин-орбита для конфигураций pf, p{5}, fp,f{13}p
Анисимова Г.П., Капелькина Е.Л.
Оптика и спектроскопия, Vol: 84, No: 6 , 1998
Метод континуального интегрирования для определения радиационных констант. Радиационные времена жизни в задачах переноса излучения
Безуглов Н.Н., Таратин Б.В.
Оптика и спектроскопия, Vol: 84, No: 6 , 1998
Усиление без инверсии в серед 1/2→1/2 атомов
Коноплева Н.П., Тумайкин А.М.
Письма в ЖЭТФ, Vol: 68, No: 5-6 , 1998
Взаимодействие возбужденных атомов ртути с атомами инертных газов и молекулой водорода
Девдариани А.З., Загребин А.Л., Леднев М.Г.
Хим. физ., Vol: 17, No: 6 , 1998
Classical limit of elastic scattering operator of a diatomic molecule in the Born-Oppenheimer approximation
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Ann. Inst. H. Poincare. Phys. theor, Vol: 69, No: 1 , 1998
N-body quantum systems with singular potentials
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Ann. Inst. H. Poincare. Phys. theor, Vol: 69, No: 2 , 1998
Adiabatic berry phase and hannay angle for open paths
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Ann. Phys., Vol: 270, No: 1 , 1998
Hubbard and Heisenberg models for four-electron systems. Group-theoretical interrelationships and applications to multinuclear transition-metal clusters
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Bull. Chem. Soc. Jpn., Vol: 71, No: 3 , 1998
Localization effects in a double-well model
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Can. J. Phys., Vol: 76, No: 2 , 1998
Creation and annihilation operators for the Morse oscillator and the coherent states
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MAF solution for bounded potential problems
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Can. J. Phys., Vol: 76, No: 5 , 1998
calculations for double-well potentials of perturbed oscillatot type in three-dimensional systems using the Hill-determinant approach
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Can. J. Phys., Vol: 76, No: 8 , 1998
Similarities between single reference perturbation theory based on a CASSCF wavefunction and multireference perturbation theory based on a reference space spanned by a CAS
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Chem. Phys. Lett., Vol: 283, No: 5-6 , 1998
Empirical density functionals
Adamson R.D., Gill P.M.W., Pople J.A.
Chem. Phys. Lett., Vol: 284, No: 1-2 , 1998
A second-order doubles correction to excitation energies in the random-phase approximation
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Size-consistent self-consistent configuration interaction from a complete active space
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Chem. Phys. Lett., Vol: 286, No: 3-4 , 1998
Coulomb energies via Stewart densities
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Open-shell Moller-Plesset perturbation theory based on the asymptotic method of obtaining SCF orbitals
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Chem. Phys. Lett., Vol: 287, No: 1-2 , 1998
An exact Eckart-embedded kinetic energy operator in Radau coordinates for triatomic molecules
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Chem. Phys. Lett., Vol: 287, No: 3-4 , 1998
The fitting of potential energy surfaces using neural networks. Application to the study of the photodissociation processes
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Theory of electron spin-echo envelope modulation in isotropic tunneling methyl rotor systems
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Chem. Phys. Lett., Vol: 287, No: 5-6 , 1998
Minimum general requirements for equivalent atoms in a molecule
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Chem. Phys. Lett., Vol: 287, No: 5-6 , 1998
The equivalence between Floquet formalism and the multi-step approach in computing the evolution operator of a periodical time-dependent Hamiltonian
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Chem. Phys. Lett., Vol: 288, No: 2-4 , 1998
The multi-state CASPT2 method
Finley James, Malmqvist Per-Ake, Roos Bjrn O., Serrano-Andres Luis
Chem. Phys. Lett., Vol: 288, No: 2-4 , 1998
A numerical study of the functional derivative of the kinetic part of the density functional correlation energy
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Chem. Phys. Lett., Vol: 288, No: 2-4 , 1998
Benchmark full-CI calculation on C[2]H[2]: comparison with (SC){2}-CI and other truncated-CI approaches
Ben-Amor Nadia, Evangelisti Stefano, Maynau Daniel, Rossi Elda
Chem. Phys. Lett., Vol: 288, No: 2-4 , 1998
Density functional theory for open-shell singlet biradicals
Grafenstein Jurgen, Kraka Elfi, Cremer Dieter
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Full solution to the coupled-cluster equations: the H4 model
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Chem. Phys. Lett., Vol: 290, No: 1-3 , 1998
New diagnostics for coupled-cluster and Moller-Plesset perturbation theory
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An extension of ab initio molecular orbital theory to nuclear motion
Tachikawa Masanori, Mori Kazuhide, Nakai Hiromi, Iguchi Kaoru
Chem. Phys. Lett., Vol: 290, No: 4-6 , 1998
Learnings from exchange-correlation potentials
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Chem. Phys. Lett., Vol: 290, No: 4-6 , 1998
Relativistic, quantum electrodynamic and many-body effects in the water molecule
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Mass-action law for highly excited dimers
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Chem. Phys. Lett., Vol: 290, No: 4-6 , 1998
Semiclassical influence functionals for quantum systems in anharmonic environments
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Initial value representation for the classical propagator and S-matrix with the help of coherent states
Shalashilin Dmitrii V., Jackson Bret
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VBDFT(s): a Huckel-type semi-empirical valence bond method scaled to density functional energies. Application to linear polyenes
Wu Wei, Zhong Shi-jun, Shaik Sason
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Investigations of the CASE approximation using the optimal partition of the Coulomb operator
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Chem. Phys. Lett., Vol: 292, No: 1-2 , 1998
Rate constants in quantum mechanical systems: A rigorous and practical path-integral formulation for computer simulations
Chakrabarti Nilmadhab, Tucker Carrington, Jr., Roux Benoit
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RI-MP2: optimized auxiliary basis sets and demonstration of efficiency
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The use of density functional theory-based reactivity descriptors in molecular similarity calculations
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Quasiprobability distribution dynamics of an initially one-mode coherent photon field interacting with two- and three-state molecular systems
Nakano Masayoshi, Yamaguchi Kizashi
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Electron-photon field dynamics: a molecular aggregate interacting with an initially one-mode coherent photon field
Nakano Masayoshi, Yamaguchi Kizashi
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A method for calculating electric dipole transition moments using small configuration interaction spaces based on the concept of interaction frontier orbitals
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An extended coupled-cluster functional for molecular properties: study of an analytical and numerical approach
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A perturbation theory using a local potential from Hartree-Fock orbitals
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Relativistic multireference Moller-Plesset perturbation theory based on multiconfigurational Dirac-Fock reference functions
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Dirac-Fock-Slater calculations for diatomic molecules with a finite element defect correction method (FEM-DKM)
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The reduced model space method in multireference second-order perturbation theory
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Precise variational calculation of some S-states of Coulomb three-body systems with two identical particles
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Eur. Phys. J. D, Vol: 2, No: 2 , 1998
Perturbative and nonperturbative processes in adiabatic population transfer
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Eur. Phys. J. D, Vol: 3, No: 1 , 1998
On the finite-field transition dipole moment calculations by effecitve Hamiltonian methods
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Ab initio hadronic chemistry. I. Basic methods
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Ab initio hadronic chemistry. II. Isochemical model of the hydrogen molecule
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Ab initio hadronic chemistry. III. Isochemical model of the water molecule
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Magnetic moment of the polarized isoelectronium orbit in the hydrogen molecule
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Renormalized perturbation theory by the moment method for degenerate states: Anharmonic oscillators
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Matrix elements of U(2n) generators in a multishell spin-orbit basis. I. The del-operator MEs in a two-shell composite gelfand-paldus basis
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Matrix elements of U(2n) generators in a multishell spin-orbit basis. II. The two-shell nonzero shifts ACCs and U(2n) generator MEs
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Matrix elements of U(2n) generators in a multishell spin-orbit basis. III. General formulas
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Asymptotic behavior of the RHF energy of the PPP model of alternant cyclic polyenes
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Quantum dynamics with Lanczos subspace propagation: Application to a laser-driven molecular system
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Efficient algorithm for the spin-free valence bond theory. I. New strategy and primary expressions
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Ladder operators in commutator perturbation method
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Symmetrizing broken symmetry wave functions in quantum chemistry
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Block diagonalization problem for a Fockian matrix of molecule and its solution by means of noncommutative Rayleigh-Schrodinger perturbation theory
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Int. J. Quantum Chem. 1998. 69,, Vol: 68, No: 2 , 1998
Analytical evaluation of molecular electric and magnetic multipole moment integrals over Slater-type orbitals
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Int. J. Quantum Chem. 1998. 69,, Vol: 68, No: 3 , 1998
On the definition of the atomic charge. Relationship between {13}C NMR chemical shifts, dipole moments, and charges in saturated hydrocarbons
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Int. J. Quantum Chem. 1998. 69,, Vol: 68, No: 3 , 1998
Utilization of deformations in molecular quantum chemistry and application to density functional theory
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Int. J. Quantum Chem. 1998. 69,, Vol: 68, No: 4 , 1998
Completeness of Gaussian orbital and geminal basis sets for linear molecules in L{2} and in the first and second Sobolev spaces
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Int. J. Quantum Chem. 1998. 69,, Vol: 68, No: 6 , 1998
Self-consistent Thomas-Fermi-Dirac theory, extended by Gell-Mann and Brueckner correlation, in terms of density n and its two reduced gradients ∇{2}n/n and ∇n/n
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 2 , 1998
Extension of the quantum virial and Hellmann-Feynman theorems to the quantum statistical averages
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 2 , 1998
Second-order shakeup terms in electron propagator calculations on F[2] and H[2]O[2]
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 2 , 1998
Electron pairing and chemical bonds: Chemical bonds from the condition of minimum fluctuations of electron pair
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 2 , 1998
Correlated wave-function theory for many-center many-electron problems
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 5 , 1998
Analysis of density functionals and their density tails in H[2]
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 5 , 1998
Kohn-Sham description of equilibria and charge transfer in reactive systems
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 5 , 1998
Comparison of density functional and Hartree-Fock average local ionization energies on molecular surfaces
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 5 , 1998
Prospects for a van der Waals density functional
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 5 , 1998
Dyson-corrected orbital energies for the perturbative treatment of electron correlation
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 6 , 1998
New aspects in the theory of π electron systems on the basis of quantum statistical considerations
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Int. J. Quantum Chem. 1998. 69,, Vol: 69, No: 6 , 1998
The chemical Hamiltonian approach for treating the BSSE problem of intermolecular interactions
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Unitary-group-based open-shell coupled-cluster method with corrections for connected triexcited clusters. I. Theory
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Calculations on diatomic molecules with Slater-type orbital basis sets
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Topology of electronic densities taken from parametric methods: A predictive tool?
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Scaling behavior of dynamic correlation effects
Wenzel W., Steiner M.M., Wilson K.G.
Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Localized orbitals in nonmetallic ring systems
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Efficient evaluation of integrals for density functional theory: Nonlinear D transformations to evaluate three-center nuclear attraction integrals over B functions
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Symmetry aspects of nonrigid molecules and transition structures in chemical reactions
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 1 , 1998
Nonconventional partitioning of the many-body hamiltonian for studying correlation effects
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Investigation of an asymmetric triple-excitation correction for coupled-cluster energies
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Excitation energies in Brillouin-Wigner-based multireference perturbation theory
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Use of a fast fourier transform (FFT) 3D time-dependent Schrodinger equation solver in molecular electronic structure
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Modern valence bond descriptions of molecular excited states: an application of CASVB
Thorsteinsson T., Cooper D.L.
Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Density functional theory without the Born-Oppenheimer approximation and its application
Shigeta Y., Takahashi H., Yamanaka S. et al.
Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Excited electronic states of carotenoids: time-dependent density-matrix-response algorithm
Tretiak S., Chernyak V., Mukamel S.
Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Theory and calculations of electric field effects on hyperfine interactions
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Int. J. Quantum Chem. 1998. 69,, Vol: 70, No: 4-5 , 1998
Triatomic vibrational energies
Liu Chao-Ping, Neto J.J. Soares
Int. J. Theor. Phys., Vol: 37, No: 10 , 1998
Gaussian functions optimized for molecules
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J. chim. phys. et phys.-chim. biol, Vol: 95, No: 10 , 1998
On a topological interpretation of electronic and vibrational molecular energies
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A new method for electronic structure of the fullerene C[20]
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J. Mol. Struct. Theochem, Vol: 432, No: 2 , 1998
New analysis of experimental data for the second hexad (050), (130), (210), (012), (012), (031), (111) of H[2]{16}O molecule interacting states
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J. Mol. Struct. Theochem, Vol: 449, No: 1 , 1998
Matrix elements of p{k} in the Morse oscillator basis
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J. Phys. A, Vol: 31, No: 15 , 1998
Clebsch-Gordan problem for three-dimensional Lorentz group in the elliptic basis. I. Tensor product of continuous series
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J. Phys. A, Vol: 31, No: 15 , 1998
Some properties of double-Morse potentials
Konwent H., Machnikowski P., Magnuszewski P., Radosz A.
J. Phys. A, Vol: 31, No: 37 , 1998
Isospectral problem: interplay between Liouville equations, Darboux transforms and McKean-Trubowitz flows
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J. Phys. A, Vol: 31, No: 46 , 1998
Nuclear spin conversion and spin-rotation interaction in CH[3]F
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J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 1 , 1998
Systems with non-separable spatial variables in strong electric fields: Mesh computational method
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J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 13 , 1998
Non-Born-Openheimer corrections in an exactly solvable model of the hydrogen ion molecule
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J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 20 , 1998
S-matrix poles and inverse problem of shape resonance theory for muffin-tin model with Watson sphere
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J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 4 , 1998
Simple spectral width estimation formula extracted from real energy shape resonance wavefunctions
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J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 7 , 1998
Emission tomography for quantum state measurement in matter
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J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 9 , 1998
Electron dynamics in strongly excited sodium clusters: A density-functional study with self-interaction correction
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J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 9 , 1998
Existence of four-body molecules
Abdel-Raouf M.A., El-Gogary M.M.H., Salehy S.A.
J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 9 , 1998
An extended INDO-CI theory of the general relation between bond length and bond order
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J. Phys. Soc. Jpn., Vol: 67, No: 6 , 1998
Energy eigenvalues of a particle moving in a space bounded by a surface of rotation
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Nuovo cim. B., Vol: 113, No: 4 , 1998
Importance of two-body correlations in the {4}He molecules
Braun M., Sofianos S.A., Papageorgiou D.G., Lagaris I.E.
Nuovo cim. B., Vol: 113, No: 5 , 1998
On amplification of radiaton emitted from the excited autoionizing state of the H[2] molecule in the presence of incoherent pumping to the lowest autoionizing state
Adhya L., Sanyal S., Dastidar K. Rai
Nuovo cim. D, Vol: 20, No: 9 , 1998
Modified spectral method in phase space: Calculation of the Wigner function. II. Generalizations
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 57, No: 5 , 1998
1/N expansion in the vibron model: Diatomic molecules
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 57, No: 5 , 1998
Exact diagonalization of the Hamiltonian for trapped interacting bosons in lower dimensions
Haugset T., Haugerud H.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 57, No: 5 , 1998
Nonlinear mixing of quasiparticles in an inhomogeneous Bose condensate
Morgan S.A., Choi S., Burnett K. et al.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 57, No: 5 , 1998
Exact analytic solution of the Schrodinger equation with centrifugal tensor forces
Besprosvany J., Moshinsky M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 57, No: 6 , 1998
Stability of four-body systems inthree and two dimensions: A theoretical and quantum Monte Carlo study of biexciton molecules
Bressanini D., Mella M., Morosi G.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 57, No: 6 , 1998
Large-order dimensional perturbation theory for diatomic molecules within the Born-Oppenheimer approximation
Huang S.-W., Goodson D.Z., Lopez-Cabrera M., Germann T.C.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 58, No: 1 , 1998
Aspects of nonlinear and noncannonical transformations in quantum mechanics
Man`ko V.I., Marmo G.
Phys. scr., Vol: 58, No: 3 , 1998
Quantum effects on the localization of a particlein a double-well potential
Baroni Lucia, Cuccoli Alessandro, Tognetti Valerio, Vaia Ruggero
Physica D, Vol: 113, No: 2-4 , 1998
Asymptotic description of transients and synchronized states of globally coupled oscillators
Acebron J.A., Bonilla L.L.
Physica D, Vol: 114, No: 3-4 , 1998
Bifurcation structure of eigenstates and periodic trajectories in TDHF phase space. Weak nonlinearity case in SU(3) model
Tsukuma Hidehiko, Hashimoto Yukio, Sakata Fumihiko, Iwasawa Kazuo
Progr. Theor. Phys., Vol: 100, No: 6 , 1998
Теория поляризованной флуоресценции многоатомных радикалов при фотодиссоциации сложных молекул в газовой фазе
Блохин А.П., Гелин М.Ф.
Ж. прикл. спектроскопии, Vol: 65, No: 6 , 1998
Расчет димеров щелочных элементов на основе модельной теории возмущений
Глушков А.В., Малиновский А.В., Ефимов В.А., Кивганов А.Ф., Хохлов В.Н., Витавецкая Л.А., Боровская Г.А.
Ж. структур. химии, Vol: 39, No: 2 , 1998
Интегральные инварианты в молекулах с открытыми электронными оболочками высокой симметрии. I. Инвариантные разложения для интегралов межэлектронного взаимодействия
Плахутин Б.Н.
Ж. структур. химии, Vol: 39, No: 4 , 1998
Атомные параметры для модифицированной версии метода ПДДП(sp-базис)
Заец В.А., Герда В.И., Горлов Ю.И., Клименко В.Е.
Ж. структур. химии, Vol: 39, No: 4 , 1998
Туннельное расщепление основного состояния нежестких молекул
Бендерский В.А., Ветошкин Е.В.
Ж. физ. химии, Vol: 72, No: 1 , 1998
Применение многочастичного базиса к расчету энергии четырехэлектронной молекулы
Виноградов К.Г., Морозов В.П.
Ж. физ. химии, Vol: 72, No: 11 , 1998
Неэмпирическая модель нелокального остовного псевдопотенциала в квантово-химических расчетах
Мелешкин А.С., Томилин О.Б., Амелин И.И.
Ж. физ. химии, Vol: 72, No: 3 , 1998
Неэмпирическая модель нелокального остовного псевдопотенциала в квантово-химических расчетах
Мелешкин А.С., Томилин О.Б., Амелин И.И.
Ж. физ. химии, Vol: 72, No: 3 , 1998
Теория возмущений на базе метода двухатомных фрагментов в молекуле: межмолекулярные взаимодействия инертный газ-галоген
Бучаченко А.А., Степанов Н.Ф.
Ж. физ. химии, Vol: 72, No: 4 , 1998
Модифицированный потенциал Леннард-Джонса-Роулинсона-Борна-Майера для моделирования структуры молекул
Голованов И.Б., Цыганкова И.Г., Украинский Д.Л.
Ж. физ. химии, Vol: 72, No: 4 , 1998
Вращение и ориентация двухатомных молекул и их молекулярных ионов в сильных лазерных полях
Сухарев М.Е., Крайнов В.П.
Ж. эксперим. и теор. физ., Vol: 113, No: 2 , 1998
Зависимость транспортных характеристик молекул от вращательного квантового числа
Пархоменко А.И., Шалагин А.М.
Ж. эксперим. и теор. физ., Vol: 113, No: 5 , 1998
Hund`s case (a)-case (b) transition i the singlet-triplet absorption spectrum of pyrazine in a supersonic jet
Medvedev E.S., Pratt D.W.
Ж. эксперим. и теор. физ., Vol: 114, No: 1 , 1998
О методе определения фундаментальных параметров двухатомных молекул на основе данных об их колебательно-вращательных спектрах
Улеников О.Н., Юрченко С.Н.
Оптика атмосферы и океана, Vol: 11, No: 4 , 1998
Угловые моменты системы тождественных частиц с определенной схемой Юнга
Варшалович Д.А., Мазец И.Е.
Оптика и спектроскопия, Vol: 84, No: 4 , 1998
Применение эрмитового базиса B-сплайнов для решения двухатомных молекулярных задач методом Хартри-Фока-Дирака
Дейнека Г.Б.
Оптика и спектроскопия, Vol: 84, No: 2 , 1998
Качественный анализ торсионного движения в молекулах с центром инверсии. I. Молекула этана {12}C[2]H{6}
Буренин А.В.
Оптика и спектроскопия, Vol: 84, No: 2 , 1998
Качественный анализ торсионного движения в молекулах с центром инверсии. II. Молекула этилена {12}C[2]H[4]
Буренин А.В.
Оптика и спектроскопия, Vol: 84, No: 2 , 1998
Влияние фронта световой волны на поляризацию молекулы в сильном резонансном поле
Штофф А.В., Адамов М.Н., Дмитриев Ю.Ю., Гусаров С.И.
Оптика и спектроскопия, Vol: 84, No: 2 , 1998
Обобщение метода валентных схем для расчета электронной структуры двухатомных молекул
Тупицын И.И., Савин Д.А., Кузнецов В.Г.
Оптика и спектроскопия, Vol: 84, No: 3 , 1998
Качественное описание нежестких движений в димере (HF)[2]
Буренин А.В.
Оптика и спектроскопия, Vol: 84, No: 5 , 1998
Влияние флуктуаций классической среды окружения на туннельные безызлучательные процессы в молекулах
Белоусов А.В., Коварский В.А.
Письма в ЖЭТФ, Vol: 114, No: 6 , 1998
Квантовая механика с химической точки зрения
Словохотов Ю.Л.
Рос. хим. ж., Vol: 42, No: 3 , 1998
Метод расщепляющего оператора в расчетах спектров двухатомных молекул
Серов В.Н., Иванов В.С.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 1997, No: 2 , published: 01 January 1997
Semiclassical dynamics in a fluctuating potential
Klakow D., Reinhard P.-G., Toepffer C.
Ann. Phys., Vol: 259, No: 2 , 1997
Pade approximants in density functional theory. (Chem. Phys. Letters 268 (1997) 76). Erratum
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Chem. Phys. Lett., Vol: 271, No: 4-6 , 1997
Normal ordering and a Wick-like reduction theorem for fermions with respect to a multi-determinantal reference state
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Chem. Phys. Lett., Vol: 274, No: 5-6 , 1997
Some functional relations in the density functional theory of finite interacting electronic systems
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Chem. Phys. Lett., Vol: 276, No: 1-2 , 1997
Accurate treatment of simple models for self-interaction
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Chem. Phys. Lett., Vol: 278, No: 4-6 , 1997
Consequences for finite electronic systems of homogeneity properties of density-functional energy components
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Chem. Phys. Lett., Vol: 280, No: 3-4 , 1997
Three-body Coulomb problem in the dipole approximation: P{0} and D{0} states
Ostrovsky V.N., Prudov N.V.
J. Phys. B: At. Mol. Opt. Phys., Vol: 30, No: 2 , 1997
Calculation of wave functions and of energy levels: Application to multiple quantum wells and continuous potential
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 1 , 1997
Configuration-interaction calculations with infinite angular expansions
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 3 , 1997
Kohn-Sham method as a free-energy minimization at infinite temperature
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 4 , 1997
Optimal partition of the Coulomb operator
Lee A.M., Taylor S.W., Dombroski J.P., Gill P.M.W.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 4 , 1997
Alternative derivation of the Krieger-Li-Iafrate approximation to the optimized-effective-potential method
Nagy A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 5 , 1997
Approximate analytical solution for two electrons in the continuum
Macri P.A., Miraglia J.E., Garibotti C.R., Colavecchia F.D., Gasaneo G.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 5 , 1997
Positive energy Sturmian states for two-Coulomb-center problems
Ovchinnikov S.Yu., Macek J.H.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 5 , 1997
Criteria for the validity of the diabatic-by-sector expansion in the hyperspherical coordinate method
Hino Ken-ichi, Igarashi A., Macek J.H.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 1 , 1997
Information-theoretic interpretation of quantum error-correcting codes
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 3 , 1997
Direct determination of the quantum-mechanical density matrix using the density equation. II
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 4 , 1997
Распределение плотности кинетической и обменной энергий электронов в области межатомной связи согласно статистической модели атома
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Докл. АН Беларуси., Vol: 41, No: 2 , 1997
Взаимодействие осциллирующей частицы со стенками потенциальной ямы
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Докл. РАН, Vol: 355, No: 4 , 1997
Atomic reference energies for density functional calculations
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Chem. Phys. Lett., Vol: 265, No: 3-5 , 1997
Noninteger principal quantum numbers increase the efficiency of Slater-type basis sets: Heavy atoms
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Shifted-contour auxiliary-field Monte Carlo circumventing the sign difficulty for electronic-structure calculations
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Chem. Phys. Lett., Vol: 270, No: 3-4 , 1997
Second-order multiconfigurational Dirac-Fock self-consistent field and multireference configuration calculations on beryllium and beryllium-like Ne{6+}
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Chem. Phys. Lett., Vol: 280, No: 3-4 , 1997
Explicitly correlated trial functions in relativistic variational calculations
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Structure and dynamics of the negative alkaline-earth ions
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Multi-channel Greens` functions in complete L{2}bases (J. Phys. B: At. Mol. Opt. Phys. 30 1997 1633-1650). Corrigenda
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J. Phys. B: At. Mol. Opt. Phys., Vol: 30, No: 16 , 1997
An efficient approach for spin-angular integrations in atomic structure calculations
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Recursive evaluation of expectation values (r{k}) for arbitrary states of the relativistic one-electron atom
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J. Phys. B: At. Mol. Opt. Phys., Vol: 30, No: 20 , 1997
AntiHermitian operators in atomic shell theory
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Calculation of the atomic kinetic energy from a density functional virial relationship
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Asymptotic formula for the quantum entropy of position in energy eigenstates
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Phys. Lett. A, Vol: 226, No: 1-2 , 1997
Perturbation expansion of quantum resonance energies
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Elimination of hyperspherical ghost states caused by a closed-shell core: Test with the restricted Temkin-Poet model
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Phase transitions for N-electron atoms at the large-dimension limit
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Variational approach to the dilute Bose gas
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 1 , 1997
Correcting quantum errors in higher spin systems
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 2 , 1997
Upper bounds to the eigenvalues of the no-pair Hamiltonian
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 3 , 1997
Expansions of density functionals in terms of homogeneous functionals: Justification and nonlocal representation of the kinetic energy, exchange energy, and classical Coulomb repulsion energy for atoms
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 3 , 1997
Radiative corrections in atomic physics in the presence of perturbing potentials
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 3 , 1997
Line-integral formulas for exchange and correlation potentials separately
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 3 , 1997
Method to calculate correlated energy of double-electron systems
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 3 , 1997
Optimization of evaporative cooling
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 5 , 1997
Density-functional approach to relativistic charge expansion theory
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 5 , 1997
Nonlocal functional derivative of kinetic energy for the self-consistent Thomas-Fermi atom
March N, H,
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 1 , 1997
Coherent states for the hydrogen atom
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 5 , 1997
Vacuum polarization screening corrections to the ground-state energy of two-electron ions
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 5 , 1997
Hartree-Fock statistical approach to atoms and photoabsorption in plasmas
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Astrophys. J. , Vol: 55, No: 5 , 1997
Accurate modified configuration interaction calculations for many electron systems made easy
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J. Electron. Mater., Vol: 78, No: 12 , 1997
Chaos and localization in coupled quartic oscillators
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Pramana: J. Phys., Vol: 48, No: 2 , 1997
Experiments on quantum chaos using microwave cavities: Results for the pseudo-integrable L-billiard
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Pramana: J. Phys., Vol: 48, No: 2 , 1997
Время и энтропия изолированной моноатомной системы
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Докл. АН Беларуси., Vol: 41, No: 6 , 1997
Механизмы дальнодействия в системе "три атома + электрон"
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Эмпирическая зависимость для энергии связи электронов из 1[S1/2]-оболочки атома
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Изв. вузов. Физ., Vol: 40, No: 5 , 1997
Самосогласованный подход в расчете дисперсионных сил
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Оптика и спектроскопия, Vol: 82, No: 5 , 1997
Полуэмпирическая нерелятивистская модель для расчета полной энергии нейтральных атомов и ионов
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Оптика и спектроскопия, Vol: 83, No: 1 , 1997
Partial dynamiccal symmetry in molecules
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Ann. Phys., Vol: 255, No: 1 , 1997
Euclidean inverses for the characterization of three-dimensional molecular structures
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Chem. Phys. Lett., Vol: 264, No: 1-2 , 1997
A direct coupled cluster algorithm for massively parallel computers
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Chem. Phys. Lett., Vol: 265, No: 1-2 , 1997
A fast iterative route to the optimal angle of rotation in the complex coordinate rotation method: Some model applications
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Chem. Phys. Lett., Vol: 265, No: 1-2 , 1997
A modified Born-Oppenheimer equation: Application to conical intersections and other types of singularities
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Chem. Phys. Lett., Vol: 265, No: 1-2 , 1997
On the non-orthogonal basis set calculations of the bridge-mediated electronic matrix elements
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Chem. Phys. Lett., Vol: 265, No: 6 , 1997
Accurate adiabatic correction for the hydrogen molecule using the Born-Handy formula
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Chem. Phys. Lett., Vol: 266, No: 3-4 , 1997
A reformulation of the coupled perturbed self-consistent field equations entirely within a local atomic orbital density matrix-based scheme
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On the accuracy of second-order Moller-Plesset correlation energies
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A novel representation in the CIDEP theory
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The tensor properties of energy gradients within a non-orthogonal basis
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Generalization of the concept of Brueckner orbitals for multi-reference-state methods
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Why CCSD(T) works: A different perspective
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Evaluation of multielectron molecular integrals over Slater-type orbitals using binomial coefficients
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J. Mol. Struct. Theochem, Vol: 417, No: 1-2 , 1997
Perturbation-variation Rayleigh-Ritz (PV-RR) method. 1
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Mean field phase diagrams for one-electron molecules
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Anharmonically coupled local-mode model: An application to silane vibrational overtones
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Nuovo cim. D, Vol: 19, No: 1 , 1997
Stability of four-unit-charge systems: A quantum Monte Carlo study
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 1 , 1997
Correlated continuum wave functions for three particles with Coulomb interactions
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 4 , 1997
Calculational scheme for exact exchange and correlation potentials based on the equation of motion for density matrix plus the perturbation theory
Holas A., March N.H.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 5 , 1997
Jaynes information entropy of small molecules: Numerical evidence of the Collins conjecture
Ramirez J.C., Soriano C., Esquivel R.O., Sagar R.P., Ho M., Smith V.H. (Jr)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 56, No: 6 , 1997
The phase of the Riemann zeta function
Khare Avinash
Pramana: J. Phys., Vol: 48, No: 2 , 1997
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Вестн. МГУ. Сер. 2, Vol: 38, No: 6 , 1997
Новый вариант описания энергии многоэлектронных одноядерных систем
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Ж. структур. химии, Vol: 38, No: 2 , 1997
Качественное построение оператора координатного электродипольного момента нежесткой молекулы
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Оптика и спектроскопия, Vol: 83, No: 1 , 1997
Partial waves in the nonspherical case
Levitina T., Brandas E.J.
Int. J. Quantum Chem. Quantum Biol. Symp., Vol: 1996, No: 30 , published: 01 January 1996
Sinc collocation in quantum chemistry: Solving the planar coulomb Schrodinger equation
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Int. J. Quantum Chem. Quantum Biol. Symp., Vol: 1996, No: 30 , published: 01 January 1996
Attempts toward a pair density functional theory
Ziesche Paul
Int. J. Quantum Chem. Quantum Biol. Symp., Vol: 1996, No: 30 , published: 01 January 1996
Simple modification of the Lee-Yang-Parr correlation functional to satisfy exact nonuniform scaling requirements
Ivanov Stanislav
Int. J. Quantum Chem. Quantum Biol. Symp., Vol: 1996, No: 30 , published: 01 January 1996
Simplified methods for equation-of-motion coupled-cluster excited state calculations
Gwaltney S.R., Nooijen M., Bartlett R.J.
Chem. Phys. Lett., Vol: 248, No: 3-4 , 1996
Comment on "A generalized fast multipole approach for Hartree-Fock and density functional computations"
White C.A., Johnson B.G., Gill P.M.W., Head-Gordon M.
Chem. Phys. Lett., Vol: 248, No: 5-6 , 1996
Reply to Comment on "A generalized fast multipole approach for Hartree-Fock and density functional computations"
Kutteh R., Apra E., Nichols J.
Chem. Phys. Lett., Vol: 248, No: 5-6 , 1996
Applications to atom, ions, and molecules of a novel form of the correlation energy density functional
Liu S., Sule P., Lopez-Boada R., et al.
Chem. Phys. Lett., Vol: 257, No: 1-2 , 1996
Kinetic contribution to the correlation energy density: Benchmark to T[c][n] energy functionals
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Chem. Phys. Lett., Vol: 259, No: 1-2 , 1996
Open-shell coupled-cluster theory for a general incomplete model space using eigenvalue-independent partitioning
Mitra A., Sinha D., Mahapatra U.S.
Chem. Phys. Lett., Vol: 261, No: 3 , 1996
One step time propagation method for systems with time-dependent Hamiltonians
Fang J.-Y.
Chem. Phys. Lett., Vol: 263, No: 6 , 1996
`Bound` states of an electron in the far-field of a polar molecule
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Eur. J. Phys. , Vol: 17, No: 5 , 1996
Comparison shopping for a gradient-corrected density functional
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Some comments on the properties of unitary transformations on linear spaces having an indefinite metric and the connection with the theory of spin
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Int. J. Quantum Chem. 1998. 69,, Vol: 58, No: 6 , 1996
A graphical approach to permutation group representations for many-electron systems
Sarma C.R., Ahsan M.A.H., Rettrup S.
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Development of the activation process model: Compensation effect
Stepanov A.V., Tavgin V.L.
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Nonadiabatic effects in a method that combines classical and quantum mechanics
Antoniou Dimitri, Schwartz Steven D.
J. Chem. Phys., Vol: 104, No: 10 , 1996
An effective Hamiltonian-based method for mixed quantum-classical dynamics on coupled electronic surfaces
Fang Jian-Yun, Martens Craig C.
J. Chem. Phys., Vol: 104, No: 10 , 1996
Gaussian-2 (G2) theory: Reduced basis set requirements
Curtiss Larry A., Redfern Paul C., Smith Brian J., Radom Leo
J. Chem. Phys., Vol: 104, No: 13 , 1996
Basis set dependence of the locality of the kinetic energy operator
Hoch D.E., Harriman J.E.
J. Chem. Phys., Vol: 104, No: 15 , 1996
Kinetic energy matrices in a basis of equidensity orbitals
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J. Chem. Phys., Vol: 104, No: 15 , 1996
Gauge transformations of electron group functions
Zapol Boris P.
J. Chem. Phys., Vol: 104, No: 23 , 1996
Accurate relativistic energies of one- and two-electron systems using Gaussian wave functions
Cencek W., Kutzelnigg W.
J. Chem. Phys., Vol: 105, No: 14 , 1996
Topology of electron-electron interactions in atoms and molecules. I. The Hartree-Fock approximation
Cioslowski J., Liu G.
J. Chem. Phys., Vol: 105, No: 18 , 1996
Full quantum state determination via time dependent spectrum data
Trippenbach M., Band Y.B.
J. Chem. Phys., Vol: 105, No: 18 , 1996
Construction of the Foldy-Wouthuysen transformation and solution of the Dirac equation using large components only
van Lenthe E., Baerends E.J., Shijders J.G.
J. Chem. Phys., Vol: 105, No: 6 , 1996
Evolution of quantum system in order domain of Chebyshev operator
Chen R., Guo H.
J. Chem. Phys., Vol: 105, No: 9 , 1996
Energy levels for nonsymmetric double-well potentials in several dimensions: hill determinant approach
Witwit M.R.M.
J. Comput. Phys., Vol: 123, No: 2 , 1996
Some eigenvalue distribution functions of the Laguerre ensemble
Chen Y., Manning S.M.
J. Phys. A, Vol: 29, No: 23 , 1996
Continuum wavefunctions for one-electron two-centre molecular ions from the Killingbeck-Miller method
Hadinger G., Aubert-Frecon M., Hadinger G.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 14 , 1996
Transformatio of Breit operators into hyperfine-like operators
Hackl R., Pilkuhn H.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 20 , 1996
Alternative density functional theory for atoms and molecules
Nesbet R.K.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 6 , 1996
Perturbed energies and eigenfunctions of the curved- and flat-space isotropic oscillator via the Riccati equation
Bessis N., Bessis G.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 3 , 1996
Expansions of the correlation-energy density functional E[c][ρ] and its kinetic-energy component T[c][ρ] in terms of homogeneous functionals
Liu Sh., Part R.G.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 4 , 1996
density-functional exchange identity from coordinate scaling
Levy M., Gorling A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 5 , 1996
Transition functional method in the density-functional theory
Nagy A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 5 , 1996
Ground state and excited states of a confined condensed Bose gas
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 6 , 1996
Finite-element calculations for the three-body Coulomb problem with two equal masses
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 1 , 1996
Hyperspherical theory of three-particle fragmentation and Wannier`s threshold law
Macek J.H., Ovchinnikov S.Y.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 1 , 1996
Asymptotic wave function for three charged particles in the continuum
Mukhamedzhanov A.M., Lieber M.
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Critical analysis of non-nuclear electron-density maxima and the maximum entropy method
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J. Electron. Mater., Vol: 77, No: 9 , 1996
Optimization of Gaussian basis sets for Dirac-Hartree-Fock calculations
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Theor. chim. acta, Vol: 94, No: 1 , 1996
Supersymmetry and the Hartmann potential of theoretical chemistry
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Theor. chim. acta, Vol: 94, No: 1 , 1996
Young operator methods for fermion systems
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Theor. chim. acta, Vol: 94, No: 3 , 1996
On the E1 partial wave sum rule and the WKB approximation
Chidichimo Marita C., Rohlf Katrin
Z. Phys. D, Vol: 38, No: 1 , 1996
Некоторые свойства стационарных состояний двухуровневых систем
Бурдов В.А.
Теор. и мат. физ., Vol: 108, No: 1 , 1996
Incorporation of threshold phenomena in three-body Coulomb continuum wavefunctions
Berakdar Jamal
Austral. J. Phys., Vol: 49, No: 6 , 1996
Orthogonal effective atomic orbitals in the topological theory of atoms
Mayer I.
Can. J. Chem, Vol: 74, No: 6 , 1996
Direct orbital-free calculations using DFT and one-electron Green`s functions: Applications to atoms
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Chem. Phys. Lett., Vol: 263, No: 3-4 , 1996
Single configuration Dirac-Fock atom cobe
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What is quantum interference in atoms?
Brieger M., Schuessler H.A.
Europhys. Lett. , Vol: 35, No: 1 , 1996
On the conjoint gradient correction to the Hartree-Fock kinetic and exchange energy density functionals
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Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 1 , 1996
Analytical formulas for the eingenvalues and eigenfunctions of a d-dimensional hydrogen atom with a potential defined by Gauss` law
Morales D.A.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 1 , 1996
Structure of the optimized effective Kohn-Sham exchange potential and its gradient approximations
Gritsenko O., Van Leeuwen R., Baerends E.J.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 1 , 1996
Numerical investigation of a lower bound to the Thomas-Fermi kinetic energy and the validity of the lieb conjecture for H{-}, He, Li{+}, B{3+}, O{6+}. Ne{8+}, and Mg{12+}
Csavinszky P.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 3 , 1996
"Atom" as a complex system: One- and two-dimensional cellular automata simulations
Singh H., Sukumar N., Deb B.M.
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Numerical methods with a high order of accuracy applied in the quantum system
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J. Chem. Phys., Vol: 104, No: 6 , 1996
Intensities and rates in the spectral domain without eigenvectors
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J. Chem. Phys., Vol: 104, No: 6 , 1996
On the inclusion of the Breit interaction term in the closed-shell generator coordinate Dirac-Fock formalism
Jorge F.E., da Silva A.B.F.
J. Chem. Phys., Vol: 105, No: 13 , 1996
Sounds for the zeroth-order exchange-energy functional for atomic systems
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J. Chem. Phys., Vol: 105, No: 23 , 1996
On the secondly quantized theory of the many-electron atom
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J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 15 , 1996
On the one-dimensional helium atom
Lopez-Castillo A., Aguiar M.A.M. de, Almeida A.M.O. de
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 2 , 1996
Partial sums over fractional parentage
Hansen J.E., Judd B.R.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 5 , 1996
Positron binding to atomic silver
Ryzhikh G., Mitroy J.
J. Phys. B: At. Mol. Opt. Phys., Vol: 31, No: 22 , 1996
Improving energies by using exact electron densities
Burke K., Perdew J.P., Levy M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 5 , 1996
Local temperature in an electronic system
Nagy A., Parr R.G., Liu Sh.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 5 , 1996
Generalized gradient correction for exchange: deduction from the oscillator model
Taut M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 5 , 1996
Hyperspherical approach to three-electron atomic systems
Yang X., Bao C.G., Lin C.D.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 6 , 1996
Exact local exchange potential from Fock equations at vanishing coupling constant, and δT[c]/δn from wave-function calculations at full coupling constant
Levy M., Ernzerhof M., Gorling A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 6 , 1996
Physical interpretation of information entropy: Numerical evidence of the Collins conjecture
Esquivel R.O., Rodriguez A.L., Sagar R.P., Ho M., Smith V.H. (Jr)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 1 , 1996
Effect of the Ponderomotive potential on atomic energy differences
Rau A.R.P.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 1 , 1996
Parabolic-hyperspherical approach to the fragmentation of three-particle Coulomb systems
Berakdar J.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 2 , 1996
Separation of the exchange-correlation potential into exchange plus correlation: An optimized effective potential approach
Filippi C., Umrigar C.J., Gonze X.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 6 , 1996
Bound-state position and momentum densities and Slater sum for closed shells in a bare Coulomb field
March N.H.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 6 , 1996
Мультипольная модель атома в полости
Ермилов А.Ю., Щербинин А.В., Пупышев В.И. и др.
Вестн. МГУ. Сер. 2, Vol: 37, No: 3 , 1996
Приближенные формулы для вычисления потенциала Томаса-Ферми статистической модели атома
Лабутин С.А., Пугин М.В.
Изв. вузов. Физ., Vol: 39, No: 10 , 1996
Учет контактных взаимодействий в матричных элементах оператора энергии ряда двухэлектронных конфигураций
Анисимова Г.П., Капелькина Е.Л., Семенов Р.И., Тучкин В.И.
Оптика и спектроскопия, Vol: 81, No: 4 , 1996
Current-density dependent exchange-correlation functionals
Becke A.D.
Can. J. Chem, Vol: 74, No: 6 , 1996
Approximate kinetic energy density functionals generated by lokal-scaling transformations
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Can. J. Chem, Vol: 74, No: 6 , 1996
Real-time path-integral approach for general two-state multi-mode vibronic-coupling models
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Chem. Phys., Vol: 206, No: 1-2 , 1996
Analytic energy gradients for the Gaussian very fast multipole method (GvFMM)
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Considerations regarding the local treatment of Laplace transform MPPT
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Chem. Phys. Lett., Vol: 248, No: 3-4 , 1996
Improved L{2}-stabilization theory to compute resonances under multichannel conditions
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Chem. Phys. Lett., Vol: 249, No: 3-4 , 1996
Wavelet bases in eigenvalue problems in quantum mechanics
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Perturbation versus variation treatment of regular relativistic Hamiltonians
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Chem. Phys. Lett., Vol: 252, No: 1-2 , 1996
On the tunneling dynamics of a cubic oscillator with a time-dependent harmonic frequency
Sarkar P., Adhikari S., Bhattacharyya S.P.
Chem. Phys. Lett., Vol: 252, No: 3-4 , 1996
An accurate spectral method with arbitrarily large time step sizes
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Chem. Phys. Lett., Vol: 252, No: 3-4 , 1996
Oscillations and non-exponential decays in electron-transfer reactions
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Chem. Phys. Lett., Vol: 254, No: 1-2 , 1996
Restrictions on ground state average values imposed by time reversal symmetry
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Chem. Phys. Lett., Vol: 254, No: 1-2 , 1996
Note on the computation of the multipole tensor in spherical harmonics
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Chem. Phys. Lett., Vol: 254, No: 5-6 , 1996
Variational Rayleigh iteration
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Chem. Phys. Lett., Vol: 255, No: 1-3 , 1996
A new direct MP2 gradient algorithm with implementation on a massively parallel computer
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Chem. Phys. Lett., Vol: 255, No: 1-3 , 1996
On multiple solutions of the Fock-space coupled-cluster method
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Chem. Phys. Lett., Vol: 255, No: 4-6 , 1996
Note on the choice of basis set in density functional theory calculations for electronic structures of molecules (test on the atoms from the first three rows of the periodic table (2≤N≤Z≤18), water, ammonia and pyrrole)
Kristyan S.
Chem. Phys. Lett., Vol: 256, No: 1-2 , 1996
Linear scaling for the charge density fitting procedure of the linear combination of Gaussian-type orbitals density functional method
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Chem. Phys. Lett., Vol: 256, No: 6 , 1996
Two-by-two diabatic approach for multi-channel curve crossing problems
Chaoyuan Zhu, Hiroki Nakamura
Chem. Phys. Lett., Vol: 258, No: 3-4 , 1996
A general bridge between configuration interaction and coupled-cluster methods: A multistate solution
Adamowicz L., Caballol R., Malrieu J.P., Meller J.
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Recurrence relations for the direct calculation of spherical multipole interaction tensors and Coulomb-type interaction energies
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Chem. Phys. Lett., Vol: 260, No: 3-4 , 1996
An updated Hessian formula for optimizing transition structures which explicitly contains the potential structure of the desired transition vector
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Chem. Phys. Lett., Vol: 260, No: 3-4 , 1996
New propagator schemes for explicitly time-dependent Hamiltonians: Applications to the multiphoton dissociation dynamics of diatoms
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Chem. Phys. Lett., Vol: 262, No: 5 , 1996
Quantum chemical computations on parts of large molecules: The ab initio local self consistennt field method
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Chem. Phys. Lett., Vol: 263, No: 1-2 , 1996
A posteriori corrections to the configuration interaction method with singles and doubles
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Chem. Phys. Lett., Vol: 263, No: 3-4 , 1996
MORPHY, a program for an automated "atoms in molecules" analysis
Popelier Paul L.A.
Comput. Phys. Commun. , Vol: 93, No: 2-3 , 1996
Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIEN
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A numerical Hartree-Fock program for diatomic molecules
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Comput. Phys. Commun. , Vol: 98, No: 3 , 1996
Application of the inner product technique to nonsymmetric double-wel potentials for multi-dimensional quantum systems
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Indian J. Pure and Appl. Phys., Vol: 34, No: 8 , 1996
Application of quadratic Cl with singles, doubles, and triples (QCISDT): An attractive alternative to CCSDT
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Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 2 , 1996
Nonlinear sequence transformations: A computational tool for quantum mechanical and quantum chemical calculations
Weniger E.J.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 3 , 1996
The extended Koopmans` theorem Fock operator and the generalized overlap amplitude one-electron operator
Day O.W., Jr
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 3 , 1996
Interpolant polynomial technique applied to the ppp model. I. Asymptotics for excited states of cyclic polyenes in the finite cyclic hubbard model
Bracken P., Cizek J.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 6 , 1996
Interpolant polynomial technique applied to the ppp model. II. Testing the interpolant technique on the hubbard model
Cizek J., Bracken P.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 6 , 1996
Quantum mechanical models for organometallic reactivity
Tchougreeff A.L.
Int. J. Quantum Chem. 1998. 69,, Vol: 58, No: 1 , 1996
Supersymmetric treatment of a particle subjected to a ring-shaped potential
Blado G.G.
Int. J. Quantum Chem. 1998. 69,, Vol: 58, No: 5 , 1996
Resonant branch cuts in a generalized Friedrichs model
Rudin G.E., Gadella M.
Int. J. Quantum Chem. 1998. 69,, Vol: 58, No: 5 , 1996
Sixth-order many-body perturbation theory. I. Basic theory and derivation of the energy formula
He Z., Cremer D.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 1 , 1996
Calculation of the coefficients of the characteristic polynomial from its subgraphs
Zhao H., Wang Y.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 2 , 1996
Real irreducible tensorial sets
Zhong S.-J., Wang Y.-G., Zhang Q.-E.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 3 , 1996
Eigenvalues of the two-dimensional Schrodinger equation with nonseparable potentials
Taseli H., Eid R.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 3 , 1996
Improved scheme to solve the atomic Schrodinger equation in hyperspherical coordinates
Zhang R.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 3 , 1996
Degeneracy in one dimension: Role of singular potentials
Bhattacharyya K., Pathak R.K.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 3 , 1996
Path integral formulation for many-electron system
Kaeabe h., Nagao H., Nishikawa K.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 6 , 1996
Configuration interaction spaces with arbitrary restrictions on orbital occupancies
Panin A.I., Simon K.V.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 6 , 1996
A variable-step algorithm for computing eigenvalues of the radial Schrodinger equation
Simos T.E., Tougelidis G.
Int. J. Quantum Chem. 1998. 69,, Vol: 59, No: 6 , 1996
The nuclear motion hamiltonian for a tetratomic molecule considered as a combination of an atom and a triatom
Anderson N., Sutcliffe B.T.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
Calculating the number of spanning trees in a labeled planar molecular graph whose inner dual is a tree
John P.E., Mallion R.B.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
The ab initio model potential method and the optimized orbitals for the multiconfiguration self-consistent field-configuration interaction approach
Huzinaga S.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
Representations of the symmetric group generated by projected spin functions: A graphical approach
Rettrup S., Pauncz R.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
Electron correlation studies: Rumer basis approach
Sarma C.R., Ahsan M.A.H.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
On a general system-partitioning in the many-electron correlation problem
Mukhopadhyay A.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
On the limits of validity of the symmetrized Rayleigh-Schrodinger perturbation theory
Adams W.H.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
Increased-valence structures and hypervalent molecules
Harcourt R.D.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 1 , 1996
An alternative way of solving secular equations for the Hamiltonian matrices of regular quasi-one-dimensional systems
Gineityte V.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 3 , 1996
Secular polynomials for chemical graphs of alkanes in terms of atoms and bonds and their spectral properties
Gineityte V.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 3 , 1996
Note on the generation of Gaussian bases for pseudopotential calculations
Bettega M.H.F., Natalense P.P., Lima M.A.P., Ferreira L.G.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 4 , 1996
Selection of basis sets for atoms and molecules in cavities
Rajadell F., Planelles J., Jaskolski W., Zicovich-Wilson C.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 5 , 1996
A simple method of treating integrals containing Hylleraas-Ore molecular functions
Ungier W., Suffczynski M.
Int. J. Quantum Chem. 1998. 69,, Vol: 60, No: 5 , 1996
A chemical potential equalization method for molecular simulations
York D.M., Yang W.
J. Chem. Phys., Vol: 104, No: 1 , 1996
Quantum control of multidimensional systems: Implementation within the time-dependent Hartree approximation
Messina M., Wilson K.R., Krause J.L.
J. Chem. Phys., Vol: 104, No: 1 , 1996
Approximate size-consistent treatments of Heisenberg Hamiltonians for large systems
Guihery Nathalie, Amor Nadia Ben, Maynau Daniel, Malrieu Jean Paul
J. Chem. Phys., Vol: 104, No: 10 , 1996
State-specific coupled cluster-type dressing of multireference singles and doubles configuration interaction matrix
Meller J., Malrieu J.P., Caballol R.
J. Chem. Phys., Vol: 104, No: 11 , 1996
Relativistic four-component multiconfigurational self-consistent-field theory for molecules: Formalism
Jensen Hans Jorgen Aa., Dyall Kenneth G., Saue Trond, Faegri Knut Jr.
J. Chem. Phys., Vol: 104, No: 11 , 1996
Efficient recursive computation of molecular integrals for density functional methods
Koster Andreas M.
J. Chem. Phys., Vol: 104, No: 11 , 1996
Statistical properties of resonance states in a double Morse potential well
Dallwig S., Weese I., Weiss Th., Schlier Ch.
J. Chem. Phys., Vol: 104, No: 11 , 1996
Local treatment of electron correlation in coupled cluster theory
Hampel C., Werner H.-J.
J. Chem. Phys., Vol: 104, No: 16 , 1996
Algebraic approach to molecular spectra: Two-dimensional problems
Lachello F., Oss S.
J. Chem. Phys., Vol: 104, No: 18 , 1996
Comparison of positive flux operators for transition state theory using a solvable model
Muga J.G., Delgado V., Sala R., Snider R.F.
J. Chem. Phys., Vol: 104, No: 18 , 1996
Semiclassical analysis of resonance states induced by a conical intersection
Zhu C., Nikitin E.E., Nakamura H.
J. Chem. Phys., Vol: 104, No: 18 , 1996
Resonances in the cumulative reaction probability for a model electronically nonadiabatic reaction
Qi J., Bowman J.M.
J. Chem. Phys., Vol: 104, No: 19 , 1996
A concise redefinition of the solid spherical harmonics and its use in fast multipole methods
Perez-Jorda J.M., Yang W.
J. Chem. Phys., Vol: 104, No: 20 , 1996
Isotropic second-order dipolar shifts in the rotating frame
Ernst M., Kolbert A.C., Schmidt-Rohr K., Pines A.
J. Chem. Phys., Vol: 104, No: 21 , 1996
Contracted Gaussian-type basis functions revisited
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J. Chem. Phys., Vol: 104, No: 21 , 1996
Molecular exchange-correlation Kohn-Sham potential and energy density from ab initio first- and second-order density matrices: Examples for XH (X=Li,B,F)
Gritsenko O.V., van Leeuwen R., Baerends E.J.
J. Chem. Phys., Vol: 104, No: 21 , 1996
Effective Hamiltonian for near-degenerate states in direct relativistic perturbation theory. I. Formalism
Rutkowski A., Schwarz W.H.E.
J. Chem. Phys., Vol: 104, No: 21 , 1996
Second-order many-body perturbation-theory calculations in extended systems
Sun J.-Q., Bartlett R.J.
J. Chem. Phys., Vol: 104, No: 21 , 1996
Stability analysis for solutions of the closed shell Kohn-Sham equation
Bauernschmitt R., Ahrichs R.
J. Chem. Phys., Vol: 104, No: 22 , 1996
The interaction representation and nonadiabatic corrections to adiabatic evolution operators
Schwartz S.D.
J. Chem. Phys., Vol: 104, No: 4 , 1996
A J matrix engine for density functional theory calcualtions
White Christopher A., Head-Gordon Martin
J. Chem. Phys., Vol: 104, No: 7 , 1996
Many-body similarity transformations generated by normal ordered exponential excitation operators
Nooijen Marcel
J. Chem. Phys., Vol: 104, No: 7 , 1996
Basis set superposition problem in interaction energy calculations with explicitly correlated bases: Saturated second- and third-order energies for He[2]
Bukowski R., Jeziorski B., Szalewicz K.
J. Chem. Phys., Vol: 104, No: 9 , 1996
Extension of Gaussian-2 (G2) theory to bromine- and iodine-containing molecules: Use of effective core potentials [J. Chem. Phys. 103, 1878 (1995)]. Erratum
Glukhovtsev M.N., Pross A., McGrath M.P., Radom L.
J. Chem. Phys., Vol: 104, No: 9 , 1996
Surprising cases of divergent behavior in Moller-Plesset perturbation theory
Olsen J.
J. Chem. Phys., Vol: 105, No: 12 , 1996
Surprising cases of divergent behavior in Moller-Plesset perturbation theory
Olsen J.
J. Chem. Phys., Vol: 105, No: 12 , 1996
Local weak pairs spectral and pseudospectral singles and doubles configuration interaction
Reynolds G., Martinez T.J., Carter E.A.
J. Chem. Phys., Vol: 105, No: 15 , 1996
On the origin of size inconsistency of the second-specific effective Hamiltonian method
Heully J.L., Malrieu J.P., Zaitsevskii A.
J. Chem. Phys., Vol: 105, No: 16 , 1996
The generalized discrete variable representation. An optimal design
Szalay V.
J. Chem. Phys., Vol: 105, No: 16 , 1996
A time-dependent discrete variable representation for (multiconfiguration) Hartree methods
Manthe U.
J. Chem. Phys., Vol: 105, No: 16 , 1996
On the zero point energy in classical trajectory computations
Ben-Nun M., Levine R.D.
J. Chem. Phys., Vol: 105, No: 18 , 1996
The role energy denominators in self-consistent field (SCF) calculations for open shell systems
Kollmar Ch.
J. Chem. Phys., Vol: 105, No: 18 , 1996
Huckel type semiempirical implementation of a variational method for determining electronic band gaps
Cedillo A., Parr R.G.
J. Chem. Phys., Vol: 105, No: 21 , 1996
Second-order Epstein-Nesbet correction to "dynamic" configuration interaction energies
Mitrushenkov A.O.
J. Chem. Phys., Vol: 105, No: 23 , 1996
A general and efficient filter-diagonalization method without time propagation
Chen R., Guo H.
J. Chem. Phys., Vol: 105, No: 4 , 1996
The IMOMO method: Integration of different levels of molecular orbital approxiamations for geometry optimization of large systems: Test for n-butane conformation and S[N]2 reaction: RCl+Cl{-}
Humbel S., Sieber S., Morokuma K.
J. Chem. Phys., Vol: 105, No: 5 , 1996
Hydride exchange via two-dimensional vibrational tunneling
Close J.D.
J. Chem. Phys., Vol: 105, No: 6 , 1996
Quantum mechanically exact analytical solutions of a two-state exponential model
Osherov V.I., Nakamura H.
J. Chem. Phys., Vol: 105, No: 7 , 1996
Projective block Lanczos algorithm for dense, hermitian eigensystems
Webster F., Lo G.-C.
J. Comput. Phys., Vol: 124, No: 1 , 1996
Spline collocation calculation for H{+}[2]
Morrison J.C., Baunach Ch., Larson L., et al.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 12 , 1996
Quantum defect method for polar molecules: one-electron Green function
Chernov V.E., Zon B.A.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 18 , 1996
On the accuracy of the algebraic approximation in molecular electronic structure calculations. VI. Matrix Hartree-Fock and many-body perturbation theory calculations for the ground state of the water molecule
Moncrieff D., Wilson S.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 24 , 1996
Variational predictability of diabatic, adiabatic or impossible diatomic states
Bacalis N.C.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 9 , 1996
An analysis of states in the phase space: The diatomic molecules
Tosto S.
Nuovo cim. D, Vol: 18, No: 12 , 1996
Efficient, direct self-consistent-field method in density-functional theory
Kobayashi K., Tago K., Kurita N.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 3 , 1996
Pseudopotentials from electron density
Nagy A., Andrejkovics I.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 5 , 1996
Stationary coupled-cluster approaches to molecular properties: A comparative study
Vaval N., Pal S.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 1 , 1996
Explicit formulas for the matrix elements of a symmetrized combination of two U (2n) generators in the unitary-group approach
Lucht M.W.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 1 , 1996
Symmetry of approximate Hamiltonians generated in Birkhoff-Gustavson normal form
Sohlberg K., Shirts R.B.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 54, No: 1 , 1996
Hydrogen molecule as a classical restricted four-body problem
Lopez-Castillo A.
J. Electron. Mater., Vol: 77, No: 22 , 1996
Graphical representation of a new algorithm for nonorthogonal ab initio valence bond calculations
Li Jiabo
Theor. chim. acta, Vol: 93, No: 1 , 1996
New general formulas for matrix elements of the free-particle Green`s function over Cartensian Gaussians
Carsky Petr, Hrouda Vojtech, Polasek Martin
Theor. chim. acta, Vol: 93, No: 1 , 1996
Spectral moments of polymer graphs
Gutman Ivan, Rosenfeld Vladimir R.
Theor. chim. acta, Vol: 93, No: 3 , 1996
Energy spectra of two interacting electrons in a quantum ring: rotating Wigner molecule
Wendler L., Fomin V.M., Chaplik A.V., Govorov A.O.
Z. Phys. B, Vol: 100, No: 2 , 1996
О конечно-разностном методе решения уравнения Шредингера для многоатомных молекул
Люцарев В.С., Спиридонов В.П.
Вестн. МГУ. Сер. 2, Vol: 37, No: 3 , 1996
Расчет энергии и свойств молекулы позитрония
Ребане Т.К., Зотев В.С.
Оптика и спектроскопия, Vol: 80, No: 3 , 1996
Экспериментальное определение ковалентных радиусов элементов
Бацанов С.С.
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A new method for computing eigenvalues of the radial Schrodinger equation
Simos T.E.
Chem. Phys. Lett., Vol: 235, No: 3-4 , 1995
Calculation of traces of Hamiltonian powers in finite-dimensional N-electron spin-adapted spaces: Application to the determination of moments of spectral density distributions
Lain L., Torre A.
J. Phys. A, Vol: 28, No: 12 , 1995
On a model for quantum friction. I. Fermi`s golden rule and dynamics at zero temperature
Jasic V., Pillet C.A.
Ann. Inst. H. Poincare. Phys. theor, Vol: 62, No: 1 , 1995
Relativistic configuration interaction calculations for open-shell atomic systems
Koc K., Ishikawa Y., Kagawa T.
Chem. Phys. Lett., Vol: 231, No: 4-6 , 1995
Density-functional theory using an optimized exchange-correlation potential
Grabo T., Gross E.K.U.
Chem. Phys. Lett., Vol: 240, No: 1-3 , 1995
Charge renormalization at the large-D limit for N-electron atoms and weakly bound systems
Kais S., Bleil R.
J. Chem. Phys., Vol: 102, No: 19 , 1995
Application of a distributed nucleus approximation in grid based minimization of the Kohn-Sham energy functional
Iyer K.A., Merrick M.P., Beck Th.L.
J. Chem. Phys., Vol: 103, No: 1 , 1995
Quantum jump calculations of velocity-selective coherent population trapping in one and two dimensions
Wu H., Holland M.J., Foot C.J.
J. Phys. B: At. Mol. Opt. Phys., Vol: 28, No: 23 , 1995
Concerning the "asymmetrized Rozen-Zenner"
Robinson E.J.
J. Phys. B: At. Mol. Opt. Phys., Vol: 28, No: 6 , 1995
Effective operators in the quark model of the atomic f shell
Hansen J.E., Judd B.R., Lister G.M.S., Velkov D.
J. Phys. B: At. Mol. Opt. Phys., Vol: 28, No: 6 , 1995
Applicability of the Lie group F[4] to the atomic f shell
Judd B.R.
J. Phys. B: At. Mol. Opt. Phys., Vol: 28, No: 7 , 1995
Probing the foundations of physics-one atom at a time

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Overview of the theory of highly charged ions
McGuire J.H., Wang J.
Nucl. Instrum. Methods Phys. Res., Sect. A , Vol: 98, No: 1-4 , 1995
Внутриоболочечные корреляции в связанной теории возмущений для атомных систем и метод штурмовских разложений
Шерстюк А.И., Соловьева Г.С.
Оптика и спектроскопия, Vol: 78, No: 4 , 1995
Renormalized hypervirial Pade scheme for energy calculations some observations
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Chem. Phys. Lett., Vol: 232, No: 1-2 , 1995
Asymmetric SCF coupling coefficients for highly symmetric open-shell molecules
Plakhutin B.N., Arbuznikov A.V.
Chem. Phys. Lett., Vol: 232, No: 3 , 1995
Quasi-bond orbitals from maximum-localization hybrids for ab initio CI calculations
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Chem. Phys. Lett., Vol: 233, No: 1-2 , 1995
Multi-partitioning quasidegenerate pertutbation theory. A new approach to multireference Moller-Plesset perturbation theory
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Chem. Phys. Lett., Vol: 233, No: 5-6 , 1995
The extended Hellmann-Feynman theorem revisited
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Chem. Phys. Lett., Vol: 233, No: 5-6 , 1995
Deriving gradient formulae for SCF methods by using Brillouin-type theorems. Gradient in the HPHF method
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Chem. Phys. Lett., Vol: 236, No: 3 , 1995
On the generator coordinate approximation for two-state problems
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Chem. Phys. Lett., Vol: 236, No: 4-5 , 1995
A generalized fast multipole approach for Hartree-Fock and density functional computations
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Chem. Phys. Lett., Vol: 238, No: 1-3 , 1995
Numerical study of the convergence of the linear expansion method for the one-electron Dirac equation
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Chem. Phys. Lett., Vol: 238, No: 4-6 , 1995
Size inconsistency of the IOPT method
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Chem. Phys. Lett., Vol: 241, No: 4 , 1995
Construction of open shell perturbation theory
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Chem. Phys. Lett., Vol: 241, No: 4 , 1995
Density-functional theory using an optimized exchange-correlation potential (Chem. Phys. Letters 240 (1995) 141). Erratum
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Chem. Phys. Lett., Vol: 241, No: 5-6 , 1995
A hybrid method for the evaluation of the matrix elements of the Coulomb potential
van Wullen Ch.
Chem. Phys. Lett., Vol: 245, No: 6 , 1995
The geometric vector potential in molecular systems with arbitrarily many identical nuclei
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Quantum dynamics via a time propagator in Wigner`s phase space
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Spin-resolved analysis of electronegativity equalization and electron flow in molecules
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Competitive tracking of molecular objectives described by quantum mechanics
Chen Yu., Gross P., Ramakrishna V., et al.
J. Chem. Phys., Vol: 102, No: 20 , 1995
Extraction, through filter-diagonalization, of general quantum eigenvalues or classical normal mode frequencies from a small number of residues or a short-time segment of a signal. I. Theory and application to a quantum-dynamics model
Wall M.R., Neuhauser D.
J. Chem. Phys., Vol: 102, No: 20 , 1995
A quantitative study of the scaling properties of the Hartree-Fock method
Strout D.L., Scuseria G.E.
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Semiclassical behavior at a quantum avoided crossing
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Modeling physical systems by effective harmonic oscillators: The optimized quadratic approximation
Cao J., Voth G.A.
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Evaluation of <S{2}> in restricted, unrestricted Hartree-Fock, and density functional based theories
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A bound on kinetic energy of diatomic molecules
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On some attempts to generalize the effective Hamiltonian approach
Heully J.L., Evangelisti S., Durand Ph.
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Landau free enefgy in the mean-field approximation for coupled classical anharmonic oscillators
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Ж. структур. химии, Vol: 36, No: 2 , 1995
Атомы в молекулах. Квантово-химические модели
Татевский В.М., Степанов Н.Ф.
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Evaluation of integrals appearing in the Hylleraas CI method by expanding 1/r[ij] in terms of a complete basis set
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A new representation for ground states and its Legendre transforms
Cedillo A.
Int. J. Quantum Chem. Quantum Biol. Symp., Vol: 1994, No: 28 , published: 01 January 1994
New approximation to the bound states of Schrodinger operators with Coulomb interaction
Nunez M.A., Izquierdo G.B.
Int. J. Quantum Chem. Quantum Biol. Symp., Vol: 1994, No: 28 , published: 01 January 1994
Electron-nuclear dynamics of molecular systems
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Evaluation of group theoretical characteristics using the symbolic manipulation language MAPLE
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On a form of nonlinear dissipative wave mechanics valid in position- and momentum-space
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On the applicability of the Screened-Coulomb exchange model in Kohn-Sham density functional studies
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Direct solution of the many-body Schrodinger equation in the hyperspherical formalism: Formulation of the CFHH-GLF metod
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Two-center overlap integrals over Slater-type orbitals constrained to a spherical integration volume: Analytical expressions
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Квантово-полевая модель электронно-ядерных систем
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Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory
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Atomic-cascade experiment with detection of the recoil atom
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Precise measurement of the isotopic composition of cerium and its atomic weight
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Why define atoms in real space?
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A correlation-energy functional from a correlation-factor model
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Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 4 , 1994
Large-Z and -N dependence of atomic energies from renormalization of the large-dimension limit
Kais S., Sung S.M., Herschbach D.R.
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The orthogonal and the natural representation for symmetric groups
Wu W., Zhang Q.
Int. J. Quantum Chem. 1998. 69,, Vol: 50, No: 1 , 1994
Second quantization and coefficients of fractional parentage
Bernotas A., Kaniauskas J.
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Improved local density functional approach for atomic systems
Ghosh S.K., Deb B.M.
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An exact separation of the spin-free and spin-dependent terms of the Dirac-Coulomb-Breit Hamiltonian
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Correlated electronic structure models suggested by the large-dimension limit
Loeser J.G., Summerfield J.H., Tan A.L., Zheng Z.
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Exact solutions of regular approximate relativistic wave equations for hydrogen-like atoms
van Leeuwen R., van Lenthe E., Baerends E.J., et al.
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Applying the quark model to the atomic d shell
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Time reversal symmetry and two-particle fermion many-body operators in f{N}
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Improved local density approximation to the exchange and kinetic energy functionals for atomic systems
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Multicenter bond index: Grassmann algebra and N-order density functional
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J. Phys. Chem, Vol: 98, No: 24 , 1994
Thermodynamic functions of element 105 in neutral and ionized states
Pershina V., Fricke B., Ionova G.V., Johnson E.
J. Phys. Chem, Vol: 98, No: 5 , 1994
Least-bias description of atomic beams
Englert B.-G., Miniatura Ch., Baudon J.
J. phys. Sec. 2., Vol: 4, No: 11 , 1994
Evaluation of some integrals for the atomic three-electron problem using convergance accelerators
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 49, No: 3 , 1994
Calculation formulas for the reducible part of the two-photon-exchange diagrams in the QED of multicharged ions
Shabaev V.M., Fokeeva I.G.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 49, No: 6 , 1994
Spin-dependent operators in the unitary-group approach
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 50, No: 1 , 1994
Exact Kohn-Sham scheme based on perturbation theory
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 50, No: 1 , 1994
Effects of quantum-mechanical symmetry on electronic correlations in intrashell states of four-valence-electron atoms
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 50, No: 3 , 1994
Hypervirial perturbation theory for eigenenergies for two types of atomic potentials
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Pramana: J. Phys., Vol: 42, No: 2 , 1994
Потенциал взаимодействия атомов в теории Томаса - Ферми с поправкой на обмен и его применения
Жукова Т.И., Фирсов О.Б.
Ж. техн. физ., Vol: 64, No: 1 , 1994
Матричные элементы оператора энергии взаимодействия спин-чужая орбита конфигураций pd, p{5}d, dp, d{9}p
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Оптика и спектроскопия, Vol: 77, No: 2 , 1994
Tunneling splittings in model 2D potentials. I. V(X,Y)=V[0](Y{2}-Y[0]{2}){2}+1/2Ω[1]{2}X{2}"/4ΑX{4}+CX{2}Y{2}
Benderskii V.A., Grebenshchikov S.Yu., Mil`nikov G.V., Vetoshkin E.V.
Chem. Phys., Vol: 188, No: 1 , 1994
Conformally Euclidean internal coordinate space in the quantum three-body problem
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Chem. Phys. Lett., Vol: 230, No: 3 , 1994
A parallel implementation of the Car-Parrinello method by orbital decomposition
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Comput. Phys. Commun. , Vol: 81, No: 1-2 , 1994
Relativistic quantum chemistry: The MOLFDIR program package
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Diagrammatic many-body perturbation expansion for atoms and molecules. X. Automatic generation and analysis of fifth-order Hugenholtz energy diagrams
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Comput. Phys. Commun. , Vol: 84, No: 1-3 , 1994
On the space of eigenvectors of molecular quantum mechanics
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Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 3 , 1994
Study on improving the accuracy of the total energy calculated by the DV-Xα method
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Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 4 , 1994
Spin virial theorem in the density functional theory
Nagy A.
Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 4 , 1994
Theory of relaxed density matrices: Application to second-order response properties
Cybulski S.M., Bishop D.M.
Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 4 , 1994
Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations
Levy M., Perdew J.P.
Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 4 , 1994
Localized Hartree product orbitals in correlated studies of molecules
Perera S.A., Bernholdt D.E., Bartlett R.J.
Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 5 , 1994
A dimensionally scaled generalization of constrained search energy density functionals
Valone S.M.
Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 5 , 1994
A new single-center method to compute molecular integrals of quantum chemistry in Slater-type orbital basis of functions
Bouferguene A., Rinaldi D.
Int. J. Quantum Chem. 1998. 69,, Vol: 50, No: 1 , 1994
Multiple solutions of the single-reference coupled-cluster equations. I. H4 model revisited
Jankowski K., Kowalski K., Jankowski P.
Int. J. Quantum Chem. 1998. 69,, Vol: 50, No: 5 , 1994
Calculating excitation energies with the help of cumulants
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Int. J. Quantum Chem. 1998. 69,, Vol: 51, No: 3 , 1994
Self-dual phase-space representation of quantum mechanics and the variational principle
Wlodarz J.J.
Int. J. Quantum Chem. 1998. 69,, Vol: 51, No: 3 , 1994
An extension of Frost-Musulin and Mobius-Zimmerman diagrams
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Int. J. Quantum Chem. 1998. 69,, Vol: 51, No: 4 , 1994
Some convergence aspects of the one-center expansion methods
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Int. J. Quantum Chem. 1998. 69,, Vol: 51, No: 6 , 1994
Quantum dynamics and microcanonical rate theory
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J. Chem. Phys., Vol: 100, No: 1 , 1994
Wavelet analysis of time series for the weakly forced and weakly damped Morse oscillator
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J. Chem. Phys., Vol: 100, No: 1 , 1994
Systematic construction of efficient many-body perturbation series
Dietz K., Schmidt Ch., Warken M., et al.
J. Chem. Phys., Vol: 100, No: 10 , 1994
An implementation of analytic second derivatives of the gradient-corrected density functional energy
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J. Chem. Phys., Vol: 100, No: 10 , 1994
On quantum mechanical phase space wave functions
Wlodarz J.J.
J. Chem. Phys., Vol: 100, No: 10 , 1994
Symmetry-adapted perturbation theory of the intramonomer correlation effects in intermolecular forces
Tachikawa M., Suzuki K., Iguchi K., Miyazaki T.
J. Chem. Phys., Vol: 100, No: 3 , 1994
Recovery of the Landau matrix elements from the classical Fourier components: The one-dimensional dissociating oscillator
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J. Chem. Phys., Vol: 100, No: 3 , 1994
A quantum state vector phase space representation
Harriman J.E.
J. Chem. Phys., Vol: 100, No: 5 , 1994
Variational principles for the time-independent wave-packet-Schrodinger and wave-packet-Lippmann-Schwinger equations
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J. Chem. Phys., Vol: 100, No: 5 , 1994
Considerations in constructing a multireference second-order perturbation theory
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J. Chem. Phys., Vol: 100, No: 5 , 1994
A partially restricted Hartree-Fock approach
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J. Chem. Phys., Vol: 100, No: 5 , 1994
Spin adapted restricted Hartree-Fock reference coupled cluster theory for open shell systems
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J. Chem. Phys., Vol: 100, No: 5 , 1994
Novel semiempirical method for quantum Monte Carlo simulation: Application to amorphous silicon
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J. Chem. Phys., Vol: 100, No: 5 , 1994
Integral expressions for the semiclassical time-dependent propagator
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J. Chem. Phys., Vol: 100, No: 6 , 1994
Perturbative and complete model space linked diagrammatic expansions for the canonical effective operator
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J. Chem. Phys., Vol: 100, No: 7 , 1994
Circumventing the Heisenberg principle: A rigorous demonstration of filter-diagonalization on a LiCN model
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J. Chem. Phys., Vol: 100, No: 7 , 1994
Many-body theory of intermolecular induction interactions
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J. Chem. Phys., Vol: 100, No: 7 , 1994
Classical Hamiltonian structures in wave packet dynamics
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J. Chem. Phys., Vol: 100, No: 7 , 1994
Solving the single-reference coupled-cluster equations involving highly excited clusters in quasidegenerate situations
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J. Chem. Phys., Vol: 100, No: 8 , 1994
Automation of the implementation of spin-adapted open-shell coupled-cluster theories relying on the unitary group formalism
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J. Chem. Phys., Vol: 101, No: 10 , 1994
Supermolecular approach to many-body dispersion interactions in weak van der Waals complexes: He, Ne, and Ar trimers
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J. Chem. Phys., Vol: 101, No: 10 , 1994
The very fast multipole method
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Multireference self-consistent size-consistent singles and doubles configuration interaction for ground and excited states
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reversible work based quantum transition state theory
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J. Chem. Phys., Vol: 101, No: 10 , 1994
The structure of a rotational isomeric state alkane melt near a hard wall
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Discrete variable representations of complicated kinetic energy operators
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J. Chem. Phys., Vol: 101, No: 2 , 1994
Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates
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Semiclassical quantization of a nonintegrable system: Pushing the Fourier method into the chaotic regime
Sohlberg K., Shirts R.B.
J. Chem. Phys., Vol: 101, No: 9 , 1994
Improved semiclassical quantization of molecular oscillations
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J. Phys. B: At. Mol. Opt. Phys., Vol: 27, No: 9 , 1994
Valency interactions in AH{0+-}[m] (hydrides of main group elements, radicals, cations, anions) and MO energy patterns directly from the pictorial "VIF" method compared with computer calculations
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Distributed basis sets of s-type Gaussian functions in molecular electronic structure calculations
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Mol. Phys. , Vol: 82, No: 3 , 1994
Semiclassical density of states at symmetric pitchfork bifurcations in coupled quartic oscillators
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Comment on "Generalized deformed oscillators for vibrational spectra of diatomic molecules" by Bonatsos D. and Daskaloyannis C. Author`s replay
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Z. Naturforsch. A, Vol: 49, No: 4-5 , 1994
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Укр. фiз. ж., Vol: 39, No: 11-12 , 1994
Dimensional scaling for regge trajectories
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Dimensional scaling for H[2]{+} without the Born-Oppenheimer approximation
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Chemical binding from the infinite dimensional limit
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Accuracy of mean field approximations for atoms and molecules
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A study of contact processes in Coulomb three-body systems with unit charges
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Valence-bond studies of the head-to-tail dimer of ClO[2]
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On the convergence of the Hartree-Fock selfconsistency procedure
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Discrete Hamiltonian symmetries and semiclassical quantization
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Quantum molecular computing: The self-assembly model
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Numerical evaluation of FC factors for highly anharmonic multidimensional potentials
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Diagrammatic many-body perturbation expansion for atoms and molecules. VIII. ccMBPT-4[t]
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Fock space multireference coupled-cluster theory for general single determinant reference functions
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Angular momentum and Heisenberg`s correspondence principle
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Transparent potential for the one-dimensional Dirak equation
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Phys. Rev. A: At. Mol. Opt. Phys., Vol: 46, No: 7 , 1992
Systematic approximations to the optimized effective potential: Application to orbital-density-functional theory
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Оптика и спектроскопия, Vol: 73, No: 5 , 1992
Bounds on the excess charge and the ionization energy for the Hellmann-Weizsacker model
Benguria Rafael, Hoops Stefan, Siedentop Heinz
Ann. Inst. H. Poincare. Phys. theor, Vol: 57, No: 1 , 1992
Leading radiative corrections for atoms in the Dirac-Fock approximation
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Ann. Phys., Vol: 219, No: 1 , 1992
Variational study of a new approximation for the kinetic energy functional
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An accurate local exchange potential for atomic one- and two-electron excited states
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Segmented contractions of relativistic Gaussian basis sets
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Chem. Phys. Lett., Vol: 195, No: 2-3 , 1992
A common mistake: The sum of Hartree Hamiltonians as starting poin for perturbation calculation
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On the use of Chandrasekhar`s basis for helium and its isoelectronic series
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Possible modes of angular motion in {4}S{0} triply excited states
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Accurate finite-element solutions of the two-body Dirac equation
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Semianalytic theory of Rydberg electron diamagnetism
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A method for inverting curvilinear transformations of relevance in the quantum mechanical Hamiltonian describing n-body systems
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Localization properties of π electrons and the validity of independent-particle models for hydrocarbon compounds
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Derivation of coupled cluster equations from general many-body relations
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Random-walk approach to mapping nodal regions of N-body wave functions: Ground-state Hartree-Fock wave functions for Li-C
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The two-state linear curve crossing problems revisited. I. Analysis of Stokes phenomenon and expressions for scattering matrices
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On the coupled-electron-pair approximation based on a multireference state
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Newton-Raphson optimization of the many-body nonadiabatic wave function expressed in terms of explicitly correlated Gaussian functions
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Spin adapted restricted open shell coupled cluster theory. Linear version
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Newton-Raphson optimization of the many-body nonadiabatic wave function expressed in terms of explicitly correlated Gaussian functions
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Spin adapted restricted open shell coupled cluster theory. Linear version
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Quasi-linear four-atomic molecules in the vibron model
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Theory of the stability of the quantum chiral state
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Topographical view of molecular electron-momentum densities
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Extinction theorem, dispersion forces, and latent heat
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Докл. АН(Россия), Vol: 324, No: 2 , 1992
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Electronic tunneling and exchange energy in the D-dimensional hydrogen-molecule ion
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On the Born-Oppenheimer expansion for polyatomic molecules
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Exactly solvable approximating models for Rabi Hamiltonian dynamics
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Accurate Coulomb-fitting basis sets for H to Rn
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Accurate Coulomb-fitting basis sets for H to Rn
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Berry pseudorotation mechanism for the interpretation of the 19F NMR spectrum in PF5 by ab initio molecular dynamics simulations
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Оптика и спектроскопия, Vol: 100, No: 5
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Spontaneous emission spectrum of a three-level atom embedded in photonic crystal
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Relativistic multireference many-body perturbation calculations on multi-valence-electron systems: Benchmarks on Zn-like ions
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Classification of atomic states by geometrical and quantum-mechanical symmetries
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Nonrelativistic QED approach to the Lamb shift
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Boson experession of hydrogen atom eigenfunction
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An average-atom model with potential-well and mixed form of exchange potential
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Оптика и спектроскопия, Vol: 99, No: 4
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Оптика и спектроскопия, Vol: 99, No: 4
Метод квантово-дефектной функции Гpина для вычисления динамических поляpизуемостей атомов
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Relativistic quantum chemistry: the multiconfigurational approach
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Density Functional Theory for General Hard-Core Lattice Gases
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Three-Boson Problem near a Narrow Feshbach Resonance
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Coupled Electron-Ion Monte Carlo Calculations of Dense Metallic Hydrogen
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Neutral Atom Quantum Register
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Transitions Driven by a Missing Frequency
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Lack of Hohenberg-Kohn Theorem for Excited States
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"Lagrange Functions": A Family of Powerful Basis Sets for Real-Space Order-N Electronic Structure Calculations
Varga Kalman, Zhang Zhenyu, Pantelides Sokrates T.
Phys. Rev. Lett., Vol: 93, No: 17
Limit to Minimally Destructive Optical Detection of Atoms
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Quasiperiodic Dynamics of a Quantum Walk on the Line
Wojcik Antoni, Luczak Tomasz, Kurzynski Pawel, Grudka Andrzej, Bednarska Malgorzata
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Aperiodic Quantum Random Walks
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Microscopic Nature of the Pygmy Dipole Resonance: The Stable Ca Isotopes
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Atoms in Double-delta-Kicked Periodic Potentials: Chaos with Long-Range Correlations
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Plane wave and Coulomb asymptotics
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On the quantum phase operator for coherent states
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Phys. scr., Vol: 70, No: 1
Heisenberg quantization for systems of identical particles and the Pauli exclusion principle in noncommutative spaces
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An alternative approach to calculating the mean values r{k} for hydrogen-like atoms
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The coherent excitation property of a two-level atom with a hyperfine structure in narrow band laser field
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Оптика и спектроскопия, Vol: 96, No: 5
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Theory of forbidden transitions in light atoms
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Asen Bjorn, Salomonson Sten, Lindgren Ingvar
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 3
Analysis of the asymptotic and short-range behavior of quasilocal Hartree-Fock and Dirac-Fock-Coulomb electron-electron interaction potentials
Neugebauer Johannes, Reiher Markus, Hinze Juergen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 3
Ab initio calculation of the whole set of He double-photoionization cross sections
Selles P., Malegat L., Kazansky A. K.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 3
Theory and computation of the matrix elements of the full interaction of the electromagnetic field with an atomic state: Application to the Rydberg and the continuous spectrum
Komninos Yannis, Mercouris Theodoros, Nicolaides Cleanthes A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 4
Analytical treatment of Rydberg states interacting with terahertz half-cycle pulses
Parzynski R., Sobczak M.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 4
Density-functional approach to obtaining excited states: Study of some open-shell atomic systems
Harbola Manoj K.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 5
Electron-nucleus interaction in laser fields: The laser-assisted internal conversion process
Kalman Peter, Bukki Tamas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 5
Statistical properties of hollow atoms
Vaeck Nathalie, Kylstra Niels J.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 6
Euclidean resonance and quantum tunneling
Ivlev B. I.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Quantum transitions in interacting fields
Karpov E., Ordonez G., Petrosky T., Prigogine I.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Generalized quantum search Hamiltonian
Bae Joonwoo, Kwon Younghun
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Fourth-order perturbative extension of the single-double excitation coupled-cluster method
Derevianko Andrei, Emmons Erik D.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Coupled-cluster calculations using local potentials
Gutle C., Heully J. L., Krieger J. B., Savin A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Thermal properties of trapped ions: A Green`s-function method
Zhao Hong-Min, Li Wei, Lin Jia-tih
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Dynamical symmetries of time-periodic Hamiltonians
Alon Ofir E.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Bayesian feedback versus Markovian feedback in a two-level atom
Wiseman H. M., Mancini Stefano, Wang Jin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Bound states in bottomless potentials
Vachaspati Tanmay
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 1
Quantum three-body Coulomb problem in two dimensions
Hilico L., Gremaud B., Jonckheere T., Billy N., Delande D.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 2
Scaling the spin densities separately in density-functional theory
Magyar R. J., Whittingham T. K., Burke K.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 2
Parity nonconservation in heavy atoms: The radiative correction enhanced by the strong electric field of the nucleus
Milstein A. I., Sushkov O. P.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 2
Double-logarithmic two-loop self-energy corrections to the Lamb shift
Jentschura U. D., Nandori I.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 66, No: 2
alpha dependence of transition frequencies for ions Si II, Cr II, Fe II, Ni II, and Zn II
Dzuba V. A., Flambaum V. V., Kozlov M. G., Marchenko M.<