Towards accurate exchange-correlation potentials for molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference17 articles.
1. QuantitiesTs[n] andTc[n] in density-functional theory
2. Constrained‐search method to determine electronic wave functions from electronic densities
3. From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies
4. Solution to the Kohn-Sham equations using reference densities from accurate, correlated wave functions for the neutral atoms helium through argon
5. Toward understanding the exchange-correlation energy and total-energy density functionals
Cited by 51 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. Levy–Perdew–Sahni Equation and the Kohn–Sham Inversion Problem;Electron Density;2024-07-05
2. Accurate effective potential for density amplitude and the corresponding Kohn–Sham exchange–correlation potential calculated from approximate wavefunctions;Journal of Physics B: Atomic, Molecular and Optical Physics;2020-07-01
3. Universal nature of different methods of obtaining the exact Kohn–Sham exchange-correlation potential for a given density;Journal of Physics B: Atomic, Molecular and Optical Physics;2019-03-19
4. Kinetic-energy-based error quantification in Kohn–Sham density functional theory;Physical Chemistry Chemical Physics;2019
5. Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities;The Journal of Chemical Physics;2014-02-07
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