Published February 15, 1986
| Published
Journal Article
Open
Adiabatically reduced coupled equations for intramolecular dynamics calculations
- Creators
- Voth, Gregory A.
-
Marcus, R. A.
Chicago
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Abstract
"Adiabatically reduced" coupled equations are derived to obtain an approximate quantum mechanical solution for the dynamics of nonstationary states in isolated polyatomic molecules. Under suitable conditions, the number of such equations is considerably less than the number of coupled equations needed in practice for the exact calculation. The relationship of the present technique to several other methods, including the partitioning method, is discussed, and specific applications of the present treatment are given.
Additional Information
© 1986 American Institute of Physics. Received 20 September 1985; accepted 14 November 1985. It is a pleasure to acknowledge the support of this research by the National Science Foundation. GAV would like to thank Dr. S. N. Dixit for several helpful discussions.Attached Files
Published - VOTjcp86.pdf
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Additional details
- Eprint ID
- 32131
- Resolver ID
- CaltechAUTHORS:20120627-095307849
- NSF
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2012-06-27Created from EPrint's datestamp field
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2021-11-09Created from EPrint's last_modified field