ISOSTATIONARY FUNCTIONS FOR MULTIMODE AND MULTILEVEL JAHN-TELLER SYSTEMS

Citation
A. Ceulemans et Lf. Chibotaru, ISOSTATIONARY FUNCTIONS FOR MULTIMODE AND MULTILEVEL JAHN-TELLER SYSTEMS, Theoretica Chimica Acta, 94(4), 1996, pp. 205-212
Citations number
26
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00405744
Volume
94
Issue
4
Year of publication
1996
Pages
205 - 212
Database
ISI
SICI code
0040-5744(1996)94:4<205:IFFMAM>2.0.ZU;2-2
Abstract
The method of isostationary functions, first introduced for linear Jah n-Teller problems within a single electronic term, is generalized to m ultimode and multilevel problems. Analytic expressions are obtained fo r the case of linear vibronic coupling of a general form, including bo th simply and non-simply reducible groups. It is shown that the static multimode Jahn-Teller problem for non-simply reducible groups can alw ays be reduced to an ideal single-mode problem.