Rare transition event with self-consistent theory of large-amplitude collective motion
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Publication:738335
DOI10.1016/J.AOP.2015.04.001zbMATH Open1343.37082arXiv1408.0364OpenAlexW2029845808MaRDI QIDQ738335
Publication date: 2 September 2016
Published in: (Search for Journal in Brave)
Abstract: 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.
Full work available at URL: https://arxiv.org/abs/1408.0364
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