Periodic-orbit formula for quantum reactions through transition states

Roman Schubert, Waalkens Holger, Arseni Goussev, Stephen Wiggins

    Research output: Contribution to journalArticlepeer-review

    1 Citation (Scopus)
    27 Downloads (Pure)

    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
    Pages (from-to)012707-012711
    JournalPhysical Review A (PRA)
    Volume82
    Issue number1
    DOIs
    Publication statusPublished - 2010

    Fingerprint

    Dive into the research topics of 'Periodic-orbit formula for quantum reactions through transition states'. Together they form a unique fingerprint.

    Cite this