A mixed adiabatic-diabatic representation for the vibronic coupling problem of polyatomic molecules

Sighart F. Fischer

doi:10.1016/0009-2614(82)83302-2

A mixed adiabatic-diabatic representation for the vibronic coupling problem of polyatomic molecules

Sighart F. Fischer

TUM Emeriti of Excellence

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

9 Scopus citations

Abstract

A model consisting of two electronic states with different symmetries and an arbitrary number of vibrational modes which couple these states is considered. After a series of canonical transformations the hamiltonian is brought into a form suited to study effects of anharmonic and vibronic couplings. Divergences typical for non-adiabatic coupling terms are avoided.

Original language	English
Pages (from-to)	367-372
Number of pages	6
Journal	Chemical Physics Letters
Volume	91
Issue number	5
DOIs	https://doi.org/10.1016/0009-2614(82)83302-2
State	Published - 24 Sep 1982

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abstract = "A model consisting of two electronic states with different symmetries and an arbitrary number of vibrational modes which couple these states is considered. After a series of canonical transformations the hamiltonian is brought into a form suited to study effects of anharmonic and vibronic couplings. Divergences typical for non-adiabatic coupling terms are avoided.",

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AB - A model consisting of two electronic states with different symmetries and an arbitrary number of vibrational modes which couple these states is considered. After a series of canonical transformations the hamiltonian is brought into a form suited to study effects of anharmonic and vibronic couplings. Divergences typical for non-adiabatic coupling terms are avoided.

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A mixed adiabatic-diabatic representation for the vibronic coupling problem of polyatomic molecules

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