Periodic-orbit formula for quantum reactions through transition states,10.1103/PhysRevA.82.012707,Physical Review A,Roman Schubert,Holger Waalkens,Ars

Periodic-orbit formula for quantum reactions through transition states


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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.

Journal: Physical Review A - PHYS REV A , vol. 82, no. 1, 2010

DOI: 10.1103/PhysRevA.82.012707

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Keywords (9)

Periodic-orbit formula for quantum reactions through transition states,10.1103/PhysRevA.82.012707,Physical Review A,Roman Schubert,Holger Waalkens,Ars

References (1)

Normally Hyperbolic Invariant Manifolds in Dynamical Systems (Citations: 150)


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