Surface-hopping-induced femtosecond vibrational dephasing in strongly vibronically coupled systems

R. Schneider; W. Domcke

doi:10.1016/S0009-2614(89)87455-X

Surface-hopping-induced femtosecond vibrational dephasing in strongly vibronically coupled systems

R. Schneider, W. Domcke

TUM Emeriti of Excellence

Technical University of Munich

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

Aspects of the vibrational dynamics on conically intersecting potential energy surfaces are discussed on the basis of exact time-dependent quantum calculations, choosing a two-state three-mode model of the S₁-S₂ conical intersection in pyrazine as a representative example. It is shown that a surface-hopping-induced femtosecond vibrational dephasing process is responsible for the irreversible relaxational behaviour in such systems.

Original language	English
Pages (from-to)	61-65
Number of pages	5
Journal	Chemical Physics Letters
Volume	159
Issue number	1
DOIs	https://doi.org/10.1016/S0009-2614(89)87455-X
State	Published - 30 Jun 1989

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abstract = "Aspects of the vibrational dynamics on conically intersecting potential energy surfaces are discussed on the basis of exact time-dependent quantum calculations, choosing a two-state three-mode model of the S1-S2 conical intersection in pyrazine as a representative example. It is shown that a surface-hopping-induced femtosecond vibrational dephasing process is responsible for the irreversible relaxational behaviour in such systems.",

author = "R. Schneider and W. Domcke",

note = "Funding Information: This work has been supported by the Deutsche Forschungsgemeinschafatn d the Fonds der Chem-ischen Industrie. The computations have been performed at the Leibniz Rechenzentrum der BayerischenA kademie der Wissenschaften.",

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AU - Domcke, W.

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Y1 - 1989/6/30

N2 - Aspects of the vibrational dynamics on conically intersecting potential energy surfaces are discussed on the basis of exact time-dependent quantum calculations, choosing a two-state three-mode model of the S1-S2 conical intersection in pyrazine as a representative example. It is shown that a surface-hopping-induced femtosecond vibrational dephasing process is responsible for the irreversible relaxational behaviour in such systems.

AB - Aspects of the vibrational dynamics on conically intersecting potential energy surfaces are discussed on the basis of exact time-dependent quantum calculations, choosing a two-state three-mode model of the S1-S2 conical intersection in pyrazine as a representative example. It is shown that a surface-hopping-induced femtosecond vibrational dephasing process is responsible for the irreversible relaxational behaviour in such systems.

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Surface-hopping-induced femtosecond vibrational dephasing in strongly vibronically coupled systems

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