CaltechAUTHORS
  A Caltech Library Service

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

[img]
Preview
PDF - Published Version
See Usage Policy.

736kB

Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:20120808-095709866

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.1680732 DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v59/i9/p5135_s1PublisherUNSPECIFIED
ORCID:
AuthorORCID
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.
Funders:
Funding AgencyGrant Number
NSFUNSPECIFIED
Issue or Number:9
DOI:10.1063/1.1680732
Record Number:CaltechAUTHORS:20120808-095709866
Persistent URL:https://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:09 Nov 2021 21:31

Repository Staff Only: item control page