Publication
Title
Applications of the generator-coordinate approximation to diatomic systems : 3 : curve-crossing problems
Author
Abstract
The generator coordinate approximation, previously applied to vibration-rotation levels near potential-energy minima, is now worked out for curve-crossing situations. We define the weak and strong adiabatic coupling limits. For weak adiabatic coupling both the adiabatic and generator coordinate approximations become exact. In the strong adiabatic coupling limit the adiabatic approximation breaks down, whereas the generator coordinate approximation again reproduces the exact solutions. These theoretical results are confirmed by calculations for a Hamiltonian modeled to the EF,GK 1-SIGMA(g)+ curve crossing in the electronic spectrum of the hydrogen molecule.
Language
English
Source (journal)
The journal of chemical physics. - New York, N.Y.
Publication
New York, N.Y. : 1990
ISSN
0021-9606
Volume/pages
93:12(1990), p. 8945-8953
ISI
A1990EP16000061
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 18.06.2017
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