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 journalArticle (Academic Journal)peer-review

86 Citations (Scopus)

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 (Wiggins et al (2001) Phys. Rev. Lett. 86 5478; Uzer et al (2002) Nonlinearity 15 957) 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.
Translated title of the contributionDirect construction of a dividing surface of minimal flux for multi-degree-of-freedom systems that cannot be recrossed
Original languageEnglish
Pages (from-to)L435 - L445
Number of pages11
JournalJournal of Physics A: Mathematical and General
Volume37 (35)
DOIs
Publication statusPublished - 3 Sep 2004

Bibliographical note

Publisher: Institute of Physics Publishing
Other identifier: IDS Number: 853FF

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