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Semiclassical Mechanics with Molecular Applications$
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M. S. Child

Print publication date: 2014

Print ISBN-13: 9780199672981

Published to Oxford Scholarship Online: October 2014

DOI: 10.1093/acprof:oso/9780199672981.001.0001

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Reactive scattering

Reactive scattering

Chapter:
(p.268) 11 Reactive scattering
Source:
Semiclassical Mechanics with Molecular Applications
Author(s):

M. S. Child

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780199672981.003.0011

Three topics in reactive scattering are discussed. The first concerns nearside–farside theory, taken from the nuclear physics literature, for the interpretation of reactive differential cross-sections. The second section describes recent progress in the prediction and interpretation of geometric phase effects, including an interesting symmetry interpretation in the extended group appropriate to double encirclement of the conical intersection. The predictions are confirmed by comparison between classical trajectory studies of geometric phase changes to the differential cross-section. The final section covers the instanton theory of low temperature chemical rate constants. Its role as a generalized transition state is outlined and connections between the semiclassical theory and the superficially distinct ring polymer theory are indicated.

Keywords:   nearside–farside, geometric phase, double group, instanton, ring polymer

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