Journal of the Physical Society of Japan · 1976 · 37 citations · 7 references
Natural SciencesPhysicsPhysical ChemistryQuantum MechanicsTheoretical ChemistryAb Initio MethodsElectron-phonon InteractionsElectronic Excited StatesMolecular Excited StatesMolecular VibrationVibrational StructureExcited Electronic StatesExcited State CalculationsExcited-state DynamicsIntermediate CouplingMolecular Vibronic CouplingPhononsVibrational Energy LevelsVibrational Excited States
The relaxed excited state of the F -center in alkali halides is studied theoretically as a vibronic system consisting of 2 s and 2 p electronic states interacting with local mode phonons. The model Hamiltonian is introduced which contains the s -, p - and d -like interaction modes. The vibronic problem for the s - and p -modes is solved numerically in the case of intermediate coupling strength and the energy schemes thus obtained are presented.
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