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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References
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A movie of this calculation has been made at Oak Ridge National Laboratory, D. W. Noid, G. S. Sewell and M. L. Koszykowski, J. Chem. Phys. (to be submitted).
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© 1979 Springer-Verlag
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Marcus, R.A., Noid, D.W., Koszykowski, M.L. (1979). Semiclassical studies of bound states and molecular dynamics. In: Casati, G., Ford, J. (eds) Stochastic Behavior in Classical and Quantum Hamiltonian Systems. Lecture Notes in Physics, vol 93. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0021751
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DOI: https://doi.org/10.1007/BFb0021751
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