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Are semiclassical methods accurate for electronically nonadiabatic transitions between weakly coupled potential energy surfaces?
- Source :
- Journal of Physical Chemistry A. August 5, 1999, Vol. 103 Issue 31, p6225, 9 p.
- Publication Year :
- 1999
-
Abstract
- A study was conducted on the development of mixed quantal-classical techniques for explaining the dynamics of electronically nonadiabatic molecular processes. It extended a previous experiment where four semiclassical approaches were tested against precise quantal findings for three atom-diatom reactions involving conical intersections. This study tested the same four semiclassical methods against precise quantal findings for an atom-diatom reaction where the diabatic potential surfaces do not cross but are roughly parallel in the entrance channel.
Details
- ISSN :
- 10895639
- Volume :
- 103
- Issue :
- 31
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.55654846