SYMMETRY DECOUPLING IN LINEAR ALGEBRAIC VARIATIONAL SCATTERING PROBLEMS
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Published:1995-02
Issue:01
Volume:06
Page:105-121
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ISSN:0129-1831
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Container-title:International Journal of Modern Physics C
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language:en
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Short-container-title:Int. J. Mod. Phys. C
Affiliation:
1. The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA
Abstract
This paper discusses the symmetry decoupling in quantum mechanical algebraic variational scattering calculations by the generalized Newton variational principle. Symmetry decoupling for collisions involving identical particles is briefly discussed. Detailed discussion is given to decoupling from evaluation of matrix elements with nonzero total angular momentum. Example numerical calculations are presented for BrH2 and DH2 systems to illustrate accuracy and efficiency.
Publisher
World Scientific Pub Co Pte Lt
Subject
Computational Theory and Mathematics,Computer Science Applications,General Physics and Astronomy,Mathematical Physics,Statistical and Nonlinear Physics