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Prediction of molecular dipole moments from bond moments: testing of the method by DFT calculations on isolated molecules

B~:ohm Stanislav\Exner Otto

Phys. Chem. Chem. Phys., vol: 6, num: 3, 510-514, published: 05 September 2007,


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

   Atoms and molecules.
      Interaction of atoms and molecules with external fields and radiation.
         Atoms and molecules in electric field.
            Electric moments.

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