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 language | English |
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Pages (from-to) | 8274-8278 |
Number of pages | 5 |
Journal | Journal of Chemical Physics |
Volume | 115 |
Issue number | 18 |
DOIs | |
State | Published - Nov 8 2001 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry