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Semiclassical studies of bound states and molecular dynamics

Marcus, R. A. and Noid, D. W. and Koszykowski, M. L. (1979) Semiclassical studies of bound states and molecular dynamics. In: Stochastic Behavior in Classical and Quantum Hamiltonian Systems. Lecture Notes in Physics. No.93. Springer , New York, NY, pp. 283-392. ISBN 978-3-540-09120-2. http://resolver.caltech.edu/CaltechAUTHORS:20150928-075703324

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Abstract

Semiclassical studies on molecular bound states, molecular collisions, and time-dependent dynamical systems are described. Several methods have been evolved for determining the action variables of nonseparable bound state systems, and thereby for calculating their quantum mechanical eigenvalues. Nonresonant and resonant systems are included, and surfaces of section in higher (>2) dimensional as well as in two-dimensional systems are obtained. Further, from the Fourier transform of an autocorrelation function the molecular spectrum can be determined directly from a trajectory. The effect of an oscillating electric field on a molecule is discussed semiclassically with a view to obtaining a relation between the classical mechanical and quantum mechanical treatments.


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http://dx.doi.org/10.1007/BFb0021751DOIArticle
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Additional Information:© 1979 Springer. This research was supported by the National Science Foundation. Some of the wave functions were computed at Oak Ridge National Laboratory. We are pleased to acknowledge, too, discussions with Professor E. Atlee Jackson.
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Record Number:CaltechAUTHORS:20150928-075703324
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20150928-075703324
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ID Code:60556
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Deposited By: Ruth Sustaita
Deposited On:29 Sep 2015 03:09
Last Modified:29 Sep 2015 03:09

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