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The multi-state CASPT2 method

Finley James, Malmqvist Per-Ake, Roos Bjrn O., Serrano-Andres Luis

Chem. Phys. Lett., vol: 288, num: 2-4, 299-306, published: , NL


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

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

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

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