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I Understand Physics > Chemical Physics arXiv:2208.06667 (physics) [Submitted on 13 Aug 2022 (v1), last revised 8 May 2023 (this version, v4)] Title:On the classical reaction rate and the first-time problems of Brownian motion Authors:Aihua Zhang, Sun Choi View a PDF of the paper titled On the classical reaction rate and the first-time problems of Brownian motion, by Aihua Zhang and Sun Choi View PDF

Abstract: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.

Comments:	6 pages, 5 figures
Subjects:	Chemical Physics (physics.chem-ph)
Cite as:	arXiv:2208.06667 [physics.chem-ph]
(or arXiv:2208.06667v4 [physics.chem-ph] for this version)
https://doi.org/10.48550/arXiv.2208.06667 Focus to learn more arXiv-issued DOI via DataCite
Related DOI:	https://doi.org/10.1016/j.physa.2023.128823 Focus to learn more DOI(s) linking to related resources

Submission history

From: Aihua Zhang [view email] [v1] Sat, 13 Aug 2022 14:52:05 UTC (282 KB) [v2] Tue, 28 Mar 2023 06:31:58 UTC (282 KB) [v3] Fri, 7 Apr 2023 08:23:21 UTC (282 KB) [v4] Mon, 8 May 2023 08:11:55 UTC (297 KB) Full-text links:

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