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Monte Carlo approach to the decay rate of a metastable system with an arbitrarily shaped barrier.

Authors :
Jing-Dong Bao
Lei Bi
Ying Jia
Source :
Journal of Chemical Physics. 5/28/2007, Vol. 126 Issue 20, p204104. 6p. 1 Chart, 2 Graphs.
Publication Year :
2007

Abstract

A path integral Monte Carlo method based on the fast-Fourier transform technique combined with the important sampling method is proposed to calculate the decay rate of a metastable quantum system with an arbitrary shape of a potential barrier. The contribution of all fluctuation actions is included which can be used to check the accuracy of the usual steepest-descent approximation, namely, the perturbation expansion of potential. The analytical approximation is found to produce the decay rate of a particle in a cubic potential being about 20% larger than the Monte Carlo data at the crossover temperature. This disagreement increases with increasing complexity of the potential shape. We also demonstrate via Langevin simulation that the postsaddle potential influences strongly upon the classical escape rate. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
126
Issue :
20
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
25289024
Full Text :
https://doi.org/10.1063/1.2736391