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Relativistic quantum chemistry: the multiconfigurational approach

Roos Bjorn O., Malmqvist Per-Ake

Phys. Chem. Chem. Phys., vol: 6, num: 11, 2919-2927, published: , GB


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

   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.
            Electron spin-orbital, spin-spin and spin-rotation interactions.

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

   Atoms and molecules.
      Geometry, rotation and vibration of molecules.
         Geometry of molecules.
            Bond lengths and valence angles.

   Atoms and molecules.
      Geometry, rotation and vibration of molecules.
         Vibration of molecules and other motion of nuclei in molecules.
            Molecular vibrations.

   Atoms and molecules.
      Interaction of atoms and molecules with external fields and radiation.
         Transitions between electronic states.
            Lifetimes and transition probabilities for molecules.

   Atoms and molecules.
      Electronic shells of molecules.
         Energy states and transitions.
            Dissociation energies, atomisation heats.

   Atoms and molecules.
      Electronic shells of molecules.
         Wave functions, molecular integrals.