Thermal equilibrium properties of surface hopping with an implicit Langevin bath
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, USA
Funder
Alfred P. Sloan Foundation (Sloan Foundation)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4905253
Reference70 articles.
1. Zur Quantentheorie der Molekeln
2. Calculation of Electron Transfer Rates Using Mixed Quantum Classical Approaches: Nonadiabatic Limit and Beyond
3. Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces
4. The Diabatic Picture of Electron Transfer, Reaction Barriers, and Molecular Dynamics
5. Mixed Quantum/Classical Dynamics of Hydrogen Transfer Reactions
Cited by 14 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Pedagogical Overview of the Fewest Switches Surface Hopping Method;ACS Omega;2022-12-08
2. Molecular Dynamics Characterization of Dielectron Hydration in Liquid Water with Unique Double Proton Transfers;Journal of Chemical Theory and Computation;2021-01-21
3. Benchmarking the Surface Hopping Method to Include Nuclear Quantum Effects;Journal of Chemical Theory and Computation;2021-01-12
4. Vibrational Energy Relaxation: A Benchmark for Mixed Quantum–Classical Methods;The Journal of Physical Chemistry A;2017-12-21
5. Charge Transport in Molecular Materials: An Assessment of Computational Methods;Chemical Reviews;2017-06-23
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3