用大振幅集体运动的自洽理论研究稀有跃迁事件
Rare transition event with self-consistent theory of large-amplitude collective motion
摘要：
一种数值模拟方法，Dang等人。的大振幅集体运动的自洽理论，罕见的过渡事件。该方法提供了一个一维的路径，而不知道最终的配置，其中包括一个动态的影响所造成的不仅是潜在的，但也动力学项。虽然将分子动力学模拟应用于窄门势是困难的，但本文提出的方法适用于这种情况。一个具有高能势垒和/或窄门的玩具模型表明，虽然Dang等人的处理对于模型参数的变化是不稳定的，但我们的方法对它是稳定的。
英文摘要：
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.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
