Abstract
The adiabatic or Born-Oppenheimer approximation constitutes one of the cornerstones in the theoretical description of molecular structure and dynamics1 2. It has proven very successful for ground electronic states, and also for many electronically excited diatomics3. The situation becomes more complex for polyatomic molecules where, due to the many nuclear degrees of freedom, the probability of degeneracies or near-degeneracies between the potential energy surfaces of electronically excited states increases enormously. Then the effects of interaction between these excited states, also called nonadiabatic or non-Born-Oppenheimer or vibronic coupling effects, come into play (see Refs. 4–8 for selected references on molecular spectroscopy and nonradiative decay).
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Köppel, H., Manthe, U. (1992). Femtosecond Wave-Packet Dynamics on Strongly Coupled Potential Energy Surfaces. In: Broeckhove, J., Lathouwers, L. (eds) Time-Dependent Quantum Molecular Dynamics. Nato ASI Series, vol 299. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-2326-4_7
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DOI: https://doi.org/10.1007/978-1-4899-2326-4_7
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