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Semiclassical S-matrix theory. VI. Integral expression and transformation of conventional coordinates

Marcus, R. A. (1973) Semiclassical S-matrix theory. VI. Integral expression and transformation of conventional coordinates. Journal of Chemical Physics, 59 (9). pp. 5135-5144. ISSN 0021-9606. doi:10.1063/1.1680732.

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Sometimes, as in reactive systems, action‐angle variables are not conveniently defined at all points of the trajectory and recourse must be made to conventional coordinates. A simple canonical transformation converts the latter to coordinates of which one is time and the remainder are constant along the trajectory. The transformation serves to remove the singularities of the semiclassical wavefunction at the turning points of the trajectory. It yields, thereby, an integral expression for the S matrix by having produced wavefunctions which can be integrated over all space. The result supplements that of Paper III [R. A. Marcus, J. Chem. Phys. 56, 311 (1972)], which was derived for systems for which action‐angle variables could be defined throughout the collision.

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Marcus, R. A.0000-0001-6547-1469
Additional Information:© 1973 The American Institute of Physics. Received 16 April 1973. Supported in part by a grant from the National Science Foundation.
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Issue or Number:9
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:33011
Deposited By: Tony Diaz
Deposited On:08 Aug 2012 17:06
Last Modified:09 Nov 2021 21:31

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