Chemical accuracy with σ-functionals for the Kohn–Sham correlation energy optimized for different input orbitals and eigenvalues
Author:
Affiliation:
1. Lehrstuhl für Theoretische Chemie, Universität Erlangen-Nürnberg, Egerlandstr. 3, D-91 058 Erlangen, Germany
2. Erlangen National High Performance Computing Center (NHR@FAU), Martensstr. 1, D-91 058 Erlangen, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0059641
Reference141 articles.
1. Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy
2. Random-phase approximation correlation methods for molecules and solids
3. Electron correlation methods based on the random phase approximation
4. Random-phase approximation and its applications in computational chemistry and materials science
5. Random-Phase Approximation Methods
Cited by 13 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. Avoiding spin contamination and spatial symmetry breaking by exact-exchange-only optimized-effective-potential methods within the symmetrized Kohn–Sham framework;The Journal of Chemical Physics;2023-12-27
2. Chemically accurate singlet-triplet gaps of organic chromophores and linear acenes by the random phase approximation and σ-functionals;The Journal of Chemical Physics;2023-11-15
3. Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels;The Journal of Chemical Physics;2023-11-15
4. Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost;The Journal of Chemical Physics;2023-11-03
5. Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy;Journal of Chemical Theory and Computation;2023-02-14
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