布朗运动
运动(物理)
过渡态理论
统计物理学
国家(计算机科学)
透射系数
数学
物理
数学分析
经典力学
传输(电信)
反应速率常数
量子力学
计算机科学
算法
动力学
电信
标识
DOI:10.1016/j.physa.2023.128823
摘要
We have developed efficient techniques to solve the first-time problems of Brownian motion. Based on a time-scale separation of recrossings, we show that Eyring's transmission coefficient ($\kappa$) equals to the one ($\kappa_\mathrm{V}$) corresponding to an absorbing boundary consistent with the transition state theory, which is greater than the one ($\kappa_\mathrm{K}$) derived by Kramers. We also propose methods for reaction rate determination by analyzing short-time trajectories from the barrier maximum, and discuss the relation to the reactive flux method and the significance of reaction coordinates.
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