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

Access to Document

10.1016/0009-2614(82)83302-2

Cite this

@article{34395ed63a9148cc919d585cb8160607,

title = "A mixed adiabatic-diabatic representation for the vibronic coupling problem of polyatomic molecules",

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.",

author = "Fischer, {Sighart F.}",

year = "1982",

month = sep,

day = "24",

doi = "10.1016/0009-2614(82)83302-2",

language = "English",

volume = "91",

pages = "367--372",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "5",

}

TY - JOUR

T1 - A mixed adiabatic-diabatic representation for the vibronic coupling problem of polyatomic molecules

AU - Fischer, Sighart F.

PY - 1982/9/24

Y1 - 1982/9/24

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=25544441220&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(82)83302-2

DO - 10.1016/0009-2614(82)83302-2

M3 - Article

AN - SCOPUS:25544441220

SN - 0009-2614

VL - 91

SP - 367

EP - 372

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this