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

Producción científica: Articlerevisión exhaustiva

15 Citas (Scopus)

Resumen

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.

Idioma originalEnglish
Páginas (desde-hasta)8274-8278
Número de páginas5
PublicaciónJournal of Chemical Physics
Volumen115
N.º18
DOI
EstadoPublished - nov 8 2001

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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