Toward an Accurate and Efficient Semiclassical Surface Hopping Procedure for Nonadiabatic Problems
Author:
Affiliation:
1. Department of Chemistry, Tulane University, New Orleans, Louisiana 70118
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp052652l
Reference65 articles.
1. Theory of Semiclassical Transition Probabilities (S Matrix) for Inelastic and Reactive Collisions
2. Time‐dependent approach to semiclassical dynamics
3. A semiclasical justification for the use of non-spreading wavepackets in dynamics calculations
4. Comparison of the propagation of semiclassical frozen Gaussian wave functions with quantum propagation for a highly excited anharmonic oscillator
Cited by 17 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. NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2020-07-08
2. Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials;Chemical Reviews;2020-02-10
3. Quantum Trajectory Mean-Field Method for Nonadiabatic Dynamics in Photochemistry;The Journal of Physical Chemistry A;2019-08-02
4. Analysis of trajectory similarity and configuration similarity in on-the-fly surface-hopping simulation on multi-channel nonadiabatic photoisomerization dynamics;The Journal of Chemical Physics;2018-12-28
5. Performance evaluation of the symmetrical quasi-classical dynamics method based on Meyer-Miller mapping Hamiltonian in the treatment of site-exciton models;The Journal of Chemical Physics;2018-11-07
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