Direct construction of a dividing surface of minimal flux for multi-degree-of-freedom systems that cannot be recrossed

H. Waalkens, S. Wiggins

    Research output: Contribution to journalArticleAcademic

    103 Citations (Scopus)
    443 Downloads (Pure)

    Abstract

    The fundamental assumption of transition state theory is the existence of a dividing surface having the property that trajectories originating in reactants (resp. products) must cross the surface only once and then proceed to products (resp. reactants). Recently it has been shown how to construct a dividing surface in phase space for Hamiltonian systems with an arbitrary (finite) number of degrees of freedom having the property that trajectories only cross once locally. In this letter we provide an argument showing that the flux across this dividing surface is a minimum with respect to certain types of variations of the dividing surface.
    Original languageEnglish
    Pages (from-to)L435-L445
    Number of pages11
    JournalJournal of Physics A: Mathematical and Theoretical
    Volume37
    Publication statusPublished - 2004

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