Aspects of dissipative electronic and vibrational dynamics of strongly vibronically coupled systems

摘要: The intramolecular non–Born–Oppenheimer quantum dynamics on conically intersecting potential‐energy surfaces is analyzed the basis of exact (numerical) time‐dependent calculations for two representative two‐state three‐mode vibronic‐coupling models. A compact description in terms reduced density matrices electronic and vibrational subsystems introduced. Results are presented time evolution coherences, populations, as well subsystem entropies. It found that such simple vibronic coupling models exhibit a rich variety dissipative phenomena femtosecond scales. numerical results reveal an interesting interplay driven surface‐hopping processes dephasing coherent motion which presumably generic feature ultrafast internal conversion polyatomic molecules.