THE EFFECT OF CORRELATION ON THE JAHN-TELLER INSTABILITY OF CYCLOBUTADIENE

Authors
METROPOULOS A CHIU YN
Citation
A. Metropoulos et Yn. Chiu, THE EFFECT OF CORRELATION ON THE JAHN-TELLER INSTABILITY OF CYCLOBUTADIENE, Journal of molecular structure. Theochem, 417(1-2), 1997, pp. 95-98
Citations number
9
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
417
Issue
1-2
Year of publication
1997
Pages
95 - 98
Database
ISI
SICI code
0166-1280(1997)417:1-2<95:TEOCOT>2.0.ZU;2-1
Abstract
We have investigated the effect of correlation on the Jahn-Teller inst ability of cyclobutadiene. We have also explored the suitability of op timization in determining the transition path from one rectangular min imum to the other. (C) 1997 Elsevier Science B.V.