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 original | English |
|---|---|
| Páginas (desde-hasta) | 8274-8278 |
| Número de páginas | 5 |
| Publicación | Journal of Chemical Physics |
| Volumen | 115 |
| N.º | 18 |
| DOI | |
| Estado | Published - nov 8 2001 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry
Huella
Profundice en los temas de investigación de 'Inter-basin dynamics on multidimensional potential surfaces. I. Escape rates on complex basin surfaces'. En conjunto forman una huella única.Citar esto
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