Diabatic states, nonadiabatic coupling, and the counterpoise procedure for weakly interacting open-shell molecules
Author:
Affiliation:
1. Theoretical Chemistry, Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5013091
Reference57 articles.
1. Quantum-State Resolved Bimolecular Collisions of Velocity-Controlled OH with NO Radicals
2. Theory of electronic transitions in slow atomic collisions
3. Reactive Scattering Dynamics on Conically Intersecting Potential Energy Surfaces: The H + H2 Exchange Reaction
4. Nonadiabatic quantum wave packet dynamics of H+H2 (HD) reactions
5. Nonadiabatic quantum wave packet dynamics of the H + H2 reaction including the coriolis coupling
Cited by 9 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. Numerical Equivalence of Diabatic and Adiabatic Representations in Diatomic Molecules;Journal of Chemical Theory and Computation;2024-01-03
2. An ab initio diabatic study of rovibronic spectra of CN;Physical Chemistry Chemical Physics;2024
3. Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes;The Journal of Physical Chemistry A;2023-12-12
4. Diabatic Potential Energy Surfaces of the Interacting Triplet States 3A2 and 3B1 of the Ozone Molecule;Atmospheric and Oceanic Optics;2023-08
5. An ab initio study of the rovibronic spectrum of sulphur monoxide (SO): diabatic vs. adiabatic representation;Physical Chemistry Chemical Physics;2022
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