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. http://resolver.caltech.edu/CaltechAUTHORS:NOIjcp77b
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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.
|Additional Information:||Copyright © 1977 American Institute of Physics. Received 4 March 1977.|
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|Deposited On:||12 Aug 2008 17:56|
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