A. Ceulemans et Lf. Chibotaru, ISOSTATIONARY FUNCTIONS FOR MULTIMODE AND MULTILEVEL JAHN-TELLER SYSTEMS, Theoretica Chimica Acta, 94(4), 1996, pp. 205-212
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.