On the Question of the Total Energy in the Fermi–Löwdin Orbital Self-Interaction Correction Method
Author:
Affiliation:
1. Physics Department and Science of Advanced Materials Ph.D. Program, Central Michigan University, Mount Pleasant, Michigan 48858, United States
2. Physics Department, University of Texas-El Paso, El Paso, Texas 79968, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00344
Reference35 articles.
1. Localized orbital scaling correction for systematic elimination of delocalization error in density functional approximations
2. Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew–Zunger Self-Interaction Corrected Density Functional Theory Calculations
3. Multiconfiguration Pair-Density Functional Theory Is Free From Delocalization Error
4. One- and many-electron self-interaction error in local and global hybrid functionals
5. Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost
Cited by 22 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. Self-consistent implementation of locally scaled self-interaction-correction method;The Journal of Chemical Physics;2023-02-13
2. Complex Fermi–Löwdin orbital self-interaction correction;The Journal of Chemical Physics;2022-06-21
3. Fermi–Löwdin orbital self-interaction correction of adsorption energies on transition metal ions;The Journal of Chemical Physics;2022-04-07
4. Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods;The Journal of Physical Chemistry A;2022-03-18
5. Testing Self‐Interaction Correction for Molecules in Solution;Advanced Engineering Materials;2021-07-31
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