Electronic correlation without double counting via a combination of spin projected Hartree-Fock and density functional theories
Author:
Funder
NSF
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4883491
Reference101 articles.
1. Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
2. Perspective on density functional theory
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree‐Fock density and its application to the hydrides of the second row atoms
5. Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree‐Fock type density and its application to the homonuclear diatomic molecules of the second row atoms
Cited by 25 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. Symmetry-projected cluster mean-field theory applied to spin systems;The Journal of Chemical Physics;2023-08-23
2. Benchmarking the semi-stochastic CC(P;Q) approach for singlet–triplet gaps in biradicals;The Journal of Chemical Physics;2022-10-07
3. λ-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density;The Journal of Chemical Physics;2022-05-28
4. Assessing combinations of singlet-paired coupled cluster and density functional theory for treating electron correlation in closed and open shells;Molecular Physics;2019-05-15
5. Half-Projected σ Self-Consistent Field For Electronic Excited States;Journal of Chemical Theory and Computation;2019-04-17
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