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Exact six-dimensional quantum calculations of the rovibrational levels of (HCl)[sub 2].

Authors :
Qiu, Yanhui
Bacic, Zlatko
Source :
Journal of Chemical Physics. 2/8/1997, Vol. 106 Issue 6, p2158. 13p. 2 Diagrams, 11 Charts.
Publication Year :
1997

Abstract

Presents results of comprehensive full-dimensional (6D) quantum calculations of the rovibrational levels of hydrogen halide dimers for total angular momentum. Use of 6D potential energy surfaces in the calculations; Importance of including the intramolecular vibrations of two hydrochloric acid subunits in the comparison with four-dimensional bound state calculations.

Details

Language :
English
ISSN :
00219606
Volume :
106
Issue :
6
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4163237
Full Text :
https://doi.org/10.1063/1.473139