Title
Application of the GCA to a series of curve crossing topologies Application of the GCA to a series of curve crossing topologies
Author
Faculty/Department
Faculty of Sciences. Mathematics and Computer Science
Publication type
article
Publication
New York, N.Y. ,
Subject
Mathematics
Physics
Chemistry
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Volume/pages
52(1993) :1 , p. 49-57
ISSN
0020-7608
ISI
A1994PE46400005
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The generator coordinate approximation (GCA) for the calculation of spectra of diatomics is briefly reviewed. Results of this method applied to a series of curve crossings are presented. In all cases, the generator coordinate method performs significantly better than does the adiabatic approximation. When the energy gap becomes smaller, the GCA results improve. In the crossing limit, the GCA becomes exact. (C) 1994 John Wiley & Sons, Inc.
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