Analytic treatment of the vibronic coupling problem

Sighart F. Fischer; Horst Köppel

doi:10.1016/0301-0104(81)85171-3

Analytic treatment of the vibronic coupling problem

Sighart F. Fischer, Horst Köppel

TUM Emeriti of Excellence

Technical University of Munich

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

6 Scopus citations

Abstract

A model system consisting of three electronic states and one vibrational degree of freedom is investigated. The upper two electronic states are vibronically coupled. Using the method of canonical transformations and avoiding the adiabatic separation between nuclear and electronic motion, approximate eigenfunctions are constructed and analytic expressions for the eigenvalues are derived. The energies and the transition matrix elements between the ground state and excited states are compared with exact numerical solutions of the problem.

Original language	English
Pages (from-to)	279-287
Number of pages	9
Journal	Chemical Physics
Volume	59
Issue number	3
DOIs	https://doi.org/10.1016/0301-0104(81)85171-3
State	Published - 1 Aug 1981

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title = "Analytic treatment of the vibronic coupling problem",

abstract = "A model system consisting of three electronic states and one vibrational degree of freedom is investigated. The upper two electronic states are vibronically coupled. Using the method of canonical transformations and avoiding the adiabatic separation between nuclear and electronic motion, approximate eigenfunctions are constructed and analytic expressions for the eigenvalues are derived. The energies and the transition matrix elements between the ground state and excited states are compared with exact numerical solutions of the problem.",

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N2 - A model system consisting of three electronic states and one vibrational degree of freedom is investigated. The upper two electronic states are vibronically coupled. Using the method of canonical transformations and avoiding the adiabatic separation between nuclear and electronic motion, approximate eigenfunctions are constructed and analytic expressions for the eigenvalues are derived. The energies and the transition matrix elements between the ground state and excited states are compared with exact numerical solutions of the problem.

AB - A model system consisting of three electronic states and one vibrational degree of freedom is investigated. The upper two electronic states are vibronically coupled. Using the method of canonical transformations and avoiding the adiabatic separation between nuclear and electronic motion, approximate eigenfunctions are constructed and analytic expressions for the eigenvalues are derived. The energies and the transition matrix elements between the ground state and excited states are compared with exact numerical solutions of the problem.

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DO - 10.1016/0301-0104(81)85171-3

M3 - Article

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SN - 0301-0104

VL - 59

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EP - 287

JO - Chemical Physics

JF - Chemical Physics

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Analytic treatment of the vibronic coupling problem

Abstract

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