Periodic-orbit formula for quantum reactions through transition states

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

*Corresponding author for this work

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    Abstract

    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
    Number of pages4
    JournalPhysical Review A
    Volume82
    Issue number1
    DOIs
    Publication statusPublished - 23-Jul-2010

    Keywords

    • PHASE-SPACE
    • SYSTEMS

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