Reduced Scaling of Optimal Regional Orbital Localization via Sequential Exhaustion of the Single-Particle Space
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106-9510, United States
2. Department of Materials, University of California, Santa Barbara, California 93106-9510, United States
Funder
Division of Graduate Education
Office of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00315
Reference70 articles.
1. Order-Nimplementation of exact exchange in extended insulating systems
2. Efficient Computation of Hartree–Fock Exchange Using Recursive Subspace Bisection
3. Ab initioprocedure for constructing effective models of correlated materials with entangled band structure
4. Effective Coulomb interactions in solids under pressure
5. Mechanism for optical initialization of spin in NV−center in diamond
Cited by 7 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. JCTC Early Career Board Selects;Journal of Chemical Theory and Computation;2024-07-23
2. Propagated (fragment) Pipek–Mezey Wannier functions in real-time time-dependent density functional theory;The Journal of Chemical Physics;2024-06-04
3. Efficient Quasiparticle Determination beyond the Diagonal Approximation via Random Compression;Journal of Chemical Theory and Computation;2024-01-04
4. Exceptional Spatial Variation of Charge Injection Energies on Plasmonic Surfaces;The Journal of Physical Chemistry Letters;2023-09-18
5. Dynamical downfolding for localized quantum states;npj Computational Materials;2023-07-19
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