Periodic-orbit formula for quantum reactions through transition states

Roman Schubert*, Holger Waalkens, Arseni Goussev, Stephen Wiggins

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


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.

Original languageEnglish
Article number012707
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Issue number1
Publication statusPublished - 23 Jul 2010


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