CaltechAUTHORS
  A Caltech Library Service

Theory of Semiclassical Transition Probabilities (S Matrix) for Inelastic and Reactive Collisions. III. Uniformization Using Exact Trajectories

Marcus, R. A. (1972) Theory of Semiclassical Transition Probabilities (S Matrix) for Inelastic and Reactive Collisions. III. Uniformization Using Exact Trajectories. Journal of Chemical Physics, 56 (1). pp. 311-320. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120813-093140548

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

746Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:20120813-093140548

Abstract

A canonical transformation of coordinates in Part I is made using exact trajectories. The transformation tends to uniformize all coordinates including that for the radial motion, thus removing the singularities in the simple semiclassical exponential wavefunction in typical cases. The new coordinates are "time" and certain constants of the motion. A symmetrical choice for the transformation then yields an integral expression for the S matrix satisfying the principle of microscopic reversibility. Topics discussed include semiclassical unitary transformations and time‐reversal properties of action‐angle variables and of semi‐classical wavefunctions. Applications and numerical tests of the integral expression for S_(mn) are in progress.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.1676866DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v56/i1/p311_s1PublisherUNSPECIFIED
Additional Information:© 1972 The American Institute of Physics. Received 16 August 1971. Acknowledgement is made to the National Science Foundation and to the donors of the Petroleum Research Fund, administered by the American Chemical Society, for their support of this research.
Funders:
Funding AgencyGrant Number
NSFUNSPECIFIED
American Chemical Society Petroleum Research FundUNSPECIFIED
Record Number:CaltechAUTHORS:20120813-093140548
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120813-093140548
Official Citation:Theory of Semiclassical Transition Probabilities (S Matrix) for Inelastic and Reactive Collisions. III. Uniformization Using Exact Trajectories R. A. Marcus, J. Chem. Phys. 56, 311 (1972), DOI:10.1063/1.1676866
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:33115
Collection:CaltechAUTHORS
Deposited By: Aucoeur Ngo
Deposited On:13 Aug 2012 16:50
Last Modified:26 Dec 2012 15:57

Repository Staff Only: item control page