Accurate NMR Shieldings with σ-Functionals-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Accurate NMR Shieldings with σ-Functionals

Published:2024-07-05 Issue:14 Volume:20 Page:6028-6036
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fauser Steffen¹^ORCID,Drontschenko Viktoria²,Ochsenfeld Christian²³,Görling Andreas¹⁴^ORCID

Affiliation:

1. Lehrstuhl für Theoretische Chemie, Universität Erlangen-Nürnberg, Egerlandstr. 3, D-91058 Erlangen, Germany

2. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany

3. Max Planck Institute for Solid State Research, D-70569 Stuttgart, Germany

4. Erlangen National High Performance Computing Center (NHR@FAU), Martensstr. 1, D-91058 Erlangen, Germany

Funder

Munich Center for Quantum Science and Technology

Deutsche Forschungsgemeinschaft

Max-Planck-Gesellschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00512

Reference52 articles.

1. Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy

2. Chemical accuracy with σ-functionals for the Kohn–Sham correlation energy optimized for different input orbitals and eigenvalues

3. Jacob’s ladder of density functional approximations for the exchange-correlation energy

4. Random-phase approximation correlation methods for molecules and solids

5. Developing the random phase approximation into a practical post-Kohn–Sham correlation model

Cited by 1 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. Application of the Adiabatic Connection Random Phase Approximation to Electron–Nucleus Hyperfine Coupling Constants;The Journal of Physical Chemistry A;2024-08-20

同舟云学术

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