Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods
Author:
Affiliation:
1. Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany
2. Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen, Germany
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2015.1025113
Reference34 articles.
1. The importance of the asymptotic exchange-correlation potential in density functional theory
2. Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
3. Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy
4. First-principlesGWcalculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
5. Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions
Cited by 75 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. Polarizable Continuum Models and Green’s Function GW Formalism: On the Dynamics of the Solvent Electrons;Journal of Chemical Theory and Computation;2024-09-03
2. Relativistic Fully Self-Consistent GW for Molecules: Total Energies and Ionization Potentials;Journal of Chemical Theory and Computation;2024-05-23
3. Reference Energies for Valence Ionizations and Satellite Transitions;Journal of Chemical Theory and Computation;2024-05-22
4. Static versus dynamically polarizable environments within the many-body GW formalism;The Journal of Chemical Physics;2024-04-16
5. Comparing Self-Consistent GW and Vertex-Corrected G0W0 (G0W0Γ) Accuracy for Molecular Ionization Potentials;Journal of Chemical Theory and Computation;2024-04-04
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