随机薛定谔动力学的过渡路径和界面采样

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Robson Christie, Peter G Bolhuis, David T Limmer
{"title":"随机薛定谔动力学的过渡路径和界面采样","authors":"Robson Christie, Peter G Bolhuis, David T Limmer","doi":"10.1063/5.0246727","DOIUrl":null,"url":null,"abstract":"<p><p>We study rare transitions in Markovian open quantum systems driven with Gaussian noise, applying transition path and interface sampling methods to trajectories generated by stochastic Schrödinger dynamics. Interface and path sampling offer insights into rare event transition mechanisms while simultaneously establishing a quantitative measure of the associated rate constant. Here, we extend their domain to systems described by stochastic Schrödinger equations. As a specific example, we explore a model of quantum Brownian motion in a quartic double well, consisting of a particle coupled to a Caldeira-Leggett oscillator bath, where we note significant departures from the Arrhenius law at low temperatures due to the presence of an anti-Zeno effect.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"162 11","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Transition path and interface sampling of stochastic Schrödinger dynamics.\",\"authors\":\"Robson Christie, Peter G Bolhuis, David T Limmer\",\"doi\":\"10.1063/5.0246727\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>We study rare transitions in Markovian open quantum systems driven with Gaussian noise, applying transition path and interface sampling methods to trajectories generated by stochastic Schrödinger dynamics. Interface and path sampling offer insights into rare event transition mechanisms while simultaneously establishing a quantitative measure of the associated rate constant. Here, we extend their domain to systems described by stochastic Schrödinger equations. As a specific example, we explore a model of quantum Brownian motion in a quartic double well, consisting of a particle coupled to a Caldeira-Leggett oscillator bath, where we note significant departures from the Arrhenius law at low temperatures due to the presence of an anti-Zeno effect.</p>\",\"PeriodicalId\":15313,\"journal\":{\"name\":\"Journal of Chemical Physics\",\"volume\":\"162 11\",\"pages\":\"\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2025-03-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1063/5.0246727\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0246727","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

我们将过渡路径和界面采样方法应用于随机薛定谔动力学产生的轨迹,研究高斯噪声驱动的马尔可夫开放量子系统中的罕见转变。界面采样和路径采样可以深入了解罕见事件的过渡机制,同时还能对相关速率常数进行定量测量。在此,我们将其领域扩展到随机薛定谔方程描述的系统。作为一个具体的例子,我们探讨了一个四元双阱中的量子布朗运动模型,该模型由一个与卡尔代拉-莱格特振荡器浴耦合的粒子组成,我们注意到由于反泽诺效应的存在,该模型在低温下明显偏离了阿伦尼乌斯定律。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Transition path and interface sampling of stochastic Schrödinger dynamics.

We study rare transitions in Markovian open quantum systems driven with Gaussian noise, applying transition path and interface sampling methods to trajectories generated by stochastic Schrödinger dynamics. Interface and path sampling offer insights into rare event transition mechanisms while simultaneously establishing a quantitative measure of the associated rate constant. Here, we extend their domain to systems described by stochastic Schrödinger equations. As a specific example, we explore a model of quantum Brownian motion in a quartic double well, consisting of a particle coupled to a Caldeira-Leggett oscillator bath, where we note significant departures from the Arrhenius law at low temperatures due to the presence of an anti-Zeno effect.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信