A classical path approach to reactive scattering

G. D. Billing; James Muckerman

doi:10.1002/qua.560360209

A classical path approach to reactive scattering

G. D. Billing, James Muckerman

Brookhaven National Laboratory

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

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 + H₂ → HD + H reaction.

Original language	English
Pages (from-to)	179-186
Number of pages	8
Journal	International Journal of Quantum Chemistry
Volume	36
Issue number	2
DOIs	https://doi.org/10.1002/qua.560360209
Publication status	Published - 1989

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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abstract = "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 + H2 → HD + H reaction.",

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