On the classical reaction rate and the first-time problems of Brownian motion
- 주제(키워드) First-time Problems , Kramers’ coefficient , Langevin equation , Reaction rate theory , Transition state theory
- 등재 SCIE, SCOPUS
- OA유형 All Open Access; Green Open Access
- 발행기관 Elsevier B.V.
- 발행년도 2023
- 총서유형 Journal
- URI http://www.dcollection.net/handler/ewha/000000209629
- 본문언어 영어
- Published As https://doi.org/10.1016/j.physa.2023.128823
초록/요약
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 (κ) equals to the one (κV) corresponding to an absorbing boundary consistent with the transition state theory, which is greater than the one (κK) 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. © 2023 Elsevier B.V.
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