Publication
Title
A realistic model for curve crossing in diatomic-molecules
Author
Abstract
We present a model system for the study of curve-crossing situations in diatomic molecules. All model parameters are determined by the potential energy topology. No coupling functions are fitted. The standard approximation schemes (Born-Oppenheimer approximation, adiabatic approximation, and the generator coordinate approximation) are then applied. The result of these numerical experiments suggest that the generator coordinate approximation is able to remove 80%-90% of the nonadiabatic effect on all levels throughout the crossing region.
Language
English
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Publication
New York, N.Y. : 1991
ISSN
0020-7608
Volume/pages
39:4(1991), p. 523-539
ISI
A1991FC23300001
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 26.03.2015
Last edited 02.08.2017
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