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A classical path approach to reactive scattering
Author(s) -
Billing G. D.,
Muckerman J. T.
Publication year - 1989
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560360209
Subject(s) - semiclassical physics , linear subspace , scattering , coordinate space , path (computing) , physics , collision , space (punctuation) , reaction coordinate , classical mechanics , quantum mechanics , computational chemistry , mathematics , geometry , computer science , quantum , chemistry , computer security , programming language , operating system
A recently proposed (semiclassical) classical path method for treating reactive scattering is reviewed. This method exploits properties of hyperspherical coordinates which allow a collision coordinate to be defined without reference to the arrangement of the particles. The coordinate space is divided into classical and quantal subspaces such that the description of the “arrangement” is quantal. Selected results are presented for the three‐dimensional D + H 2 → HD + H reaction.