Periodic-orbit formula for quantum reactions through transition states
Journal Article
·
· Physical Review. A
- School of Mathematics, University of Bristol, University Walk, Bristol BS8 1TW (United Kingdom)
Transition state theory forms the basis of computing reaction rates in chemical and other systems. Recently, it has been shown how transition state theory can rigorously be realized in phase space by using an explicit algorithm. The quantization has been demonstrated to lead to an efficient procedure to compute cumulative reaction probabilities and the associated Gamov-Siegert resonances. In this paper, these results are used to express the cumulative reaction probability as an absolutely convergent sum over periodic orbits contained in the transition state.
- OSTI ID:
- 21442921
- Journal Information:
- Physical Review. A, Journal Name: Physical Review. A Journal Issue: 1 Vol. 82; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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