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- W2087581920 abstract "Electronic and nuclear motions on intersecting potential energy surfaces are often intricately mixed and the spectrum can become very complex. Here we choose the strongly coupled Jahn-Teller system CH3F+ as a prototype example, and establish the importance of intermode coupling terms on multimode vibronic dynamics. The theoretical approach consists of a full second-order diabatic vibronic Hamiltonian, constructed from high-quality electronic structure calculations. Our results compare amazingly well with the experimental data. This highlights the success of the present theoretical approach in explaining the complex structure of vibronic spectra, ubiquitous in molecular systems." @default.
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- W2087581920 date "2005-12-15" @default.
- W2087581920 modified "2023-10-02" @default.
- W2087581920 title "Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F" @default.
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- W2087581920 doi "https://doi.org/10.1063/1.2140739" @default.
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