Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference131 articles.
1. See http://www.centrcn.umontreal.ca/c̃asida/compchem.d/DFT.html for a bibliography of some of the most important approximate functionals.
2. An optimized-effective-potential method for solids with exact exchange and random-phase approximation correlation
3. Exact Exchange Potential Band-Structure Calculations by the Linear Muffin-Tin Orbital–Atomic-Sphere Approximation Method for Si, Ge, C, and MnO
4. Development and assessment of new exchange-correlation functionals
5. Exchange-correlation potential with correct asymptotic behavior
Cited by 47 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. Density‐functional theory (DFT) and time‐dependent DFT study of the chemical and physical origins of key photoproperties of end‐group derivatives of a nonfullerene acceptor molecule for bulk heterojunction organic solar cells;Journal of Computational Chemistry;2023-07-14
2. The Molpro quantum chemistry package;The Journal of Chemical Physics;2020-04-14
3. DFT-SAPT Intermolecular Interaction Energies Employing Exact-Exchange Kohn–Sham Response Methods;Journal of Chemical Theory and Computation;2018-03-22
4. Optimized effective potentials at a glance: the effective exchange potential of Becke–Johnson applied to molecules;Theoretical Chemistry Accounts;2016-10-17
5. Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations;Computation;2015-12-04
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