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Title: Rare transition event with self-consistent theory of large-amplitude collective motion

A numerical simulation method, based on Dang et al.’s self-consistent theory of large-amplitude collective motion, for rare transition events is presented. The method provides a one-dimensional pathway without knowledge of the final configuration, which includes a dynamical effect caused by not only a potential but also kinetic term. Although it is difficult to apply the molecular dynamics simulation to a narrow-gate potential, the method presented is applicable to the case. A toy model with a high-energy barrier and/or the narrow gate shows that while the Dang et al. treatment is unstable for a changing of model parameters, our method stable for it.
Authors:
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Publication Date:
OSTI Identifier:
22451180
Resource Type:
Journal Article
Resource Relation:
Journal Name: Annals of Physics; Journal Volume: 357; Other Information: Copyright (c) 2015 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS METHOD; ONE-DIMENSIONAL CALCULATIONS