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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, num: 38, 16227-16235, published: 14 September 2013,


   Atoms and molecules.
      General problems of atomic and molecular physics.
         Methods of the quantum mechanics of atoms and molecules.
            Molecules.

   Atoms and molecules.
      Electronic shells of molecules.
         Energy states and transitions.
            Classification energy of states and transition frequencies.
               Poliatomic molecules.

   Atoms and molecules.
      Geometry, rotation and vibration of molecules.
         Intramolecular fields of forces.
            Potential energy surfaces and curves.

   Atoms and molecules.
      Interaction of atoms and molecules with external fields and radiation.
         Photoionisation and photodissociation.
            Dissociation and other transformations of molecules by action of light.

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