Inter-basin dynamics on multidimensional potential surfaces. I. Escape rates on complex basin surfaces

F. Despa, R. S. Berry

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Inter-basin dynamics was considered for computing the escape rate on complex basin surfaces. The method was proposed to separate the inter-basin dynamics from intra-basin motion. Vibrational frequency functions and energy diffusion coefficients were considered to compute the contribution of all individual minima of basin surface to the effective value of mean passage time. Analysis suggested that the proposed theory helps to treat a system undergoing nonideal stochastic processes in its exploration of configuration space.

Original languageEnglish (US)
Pages (from-to)8274-8278
Number of pages5
JournalJournal of Chemical Physics
Volume115
Issue number18
DOIs
StatePublished - Nov 8 2001
Externally publishedYes

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escape
Vibrational spectra
Random processes
Probability density function
stochastic processes
diffusion coefficient
configurations
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Inter-basin dynamics on multidimensional potential surfaces. I. Escape rates on complex basin surfaces. / Despa, F.; Berry, R. S.

In: Journal of Chemical Physics, Vol. 115, No. 18, 08.11.2001, p. 8274-8278.

Research output: Contribution to journalArticle

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