INVESTIGATION OF THE (1)E(2G)(-) STATES IN CYCLIC POLYENES

Authors
BRACKEN P CIZEK J
Citation
P. Bracken et J. Cizek, INVESTIGATION OF THE (1)E(2G)(-) STATES IN CYCLIC POLYENES, International journal of quantum chemistry, 53(5), 1995, pp. 467-471
Citations number
15
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
53
Issue
5
Year of publication
1995
Pages
467 - 471
Database
ISI
SICI code
0020-7608(1995)53:5<467:IOT(SI>2.0.ZU;2-M
Abstract
An analysis withing the one-dimensional Hubbard model of the (1)E(2g)( -) type state in cyclic polyenes is reported. In terms of the resonanc e integral beta, a small beta analysis and asymptotic large beta analy sis have been carried out. Energy as a function of beta has been calcu lated numerically, and a second state with (1)E(2g)(-) symmetry has be en found. Some missing information about the higher momentum state of this symmetry is provided. (C) 1995 John Wiley & Sons, Inc.