Noid, D. W. and Marcus, R. A. (1977) Semiclassical calculation of bound states in a multidimensional system for nearly 1:1 degenerate systems. Journal of Chemical Physics, 67 (2). pp. 559-567. ISSN 0021-9606. doi:10.1063/1.434911. https://resolver.caltech.edu/CaltechAUTHORS:NOIjcp77b
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Abstract
The method is devised to calculate eigenvalues semiclassically for an anharmonic system whose two unperturbed modes are 1:1 degenerate, by introducing a curvilinear Poincaré surface of section. The results are in reasonable agreement with the quantum ones. The classical trajectories also frequently show a large energy exchange among the two unperturbed normal modes. Implications for Slater's theory of unimolecular reactions, which neglects this effect, and for "quantum ergodicity" are described.
| Item Type: | Article | |||||||||
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| Additional Information: | Copyright © 1977 American Institute of Physics. Received 4 March 1977. | |||||||||
| Issue or Number: | 2 | |||||||||
| DOI: | 10.1063/1.434911 | |||||||||
| Record Number: | CaltechAUTHORS:NOIjcp77b | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:NOIjcp77b | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 11399 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Archive Administrator | |||||||||
| Deposited On: | 12 Aug 2008 17:56 | |||||||||
| Last Modified: | 08 Nov 2021 21:58 |
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