Multimode vibronic coupling effects in molecules

L. S. Cederbaum, H. Köppel, W. Domcke

Research output: Contribution to journalArticlepeer-review

118 Scopus citations

Abstract

The multimode vibronic coupling problem is discussed and compared with the standard single‐mode problem. It is demonstrated for two typical examples that the simultaneous consideration of two vibrational modes is essential to explain the experimental findings. The coupling of the involved electronic states via these modes gives rise to a conical intersection of the potential energy surfaces. The presence of the conical intersection strengthens considerably the nonadiabatic effects in the nuclear motion. Conical intersection of potential energy surfaces constitute a widespread phenomenon which should be considered when investigating vibronic coupling effects in realistic polyatomic molecules.

Original languageEnglish
Pages (from-to)251-267
Number of pages17
JournalInternational Journal of Quantum Chemistry
Volume20
Issue number15 S
DOIs
StatePublished - 1981
Externally publishedYes

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