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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. http://resolver.caltech.edu/CaltechAUTHORS:20120808-095709866

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Abstract

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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http://dx.doi.org/10.1063/1.1680732 DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v59/i9/p5135_s1PublisherUNSPECIFIED
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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Record Number:CaltechAUTHORS:20120808-095709866
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120808-095709866
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:33011
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:08 Aug 2012 17:06
Last Modified:26 Dec 2012 15:53

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