A periodic orbit formula for quantum reactions through transition states

Details A periodic orbit formula for quantum reactions through transition states A periodic orbit formula for quantum reactions through transition states

2010-01-22

arxiv.org/abs/1001.3945v1

Phys. Rev. A 82, 012707 (2010)

Nonlinear Sciences

Chaotic Dynamics

4 pages, 3 figures

Scientific paper

10.1103/PhysRevA.82.012707

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 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 letter these results are used to express the cumulative reaction probability as an absolutely convergent sum over periodic orbits contained in the transition state.

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