Hubbard U parameters for transition metals from first principles
Author:
Funder
Jülich Aachen Research Alliance-Center
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.105.195153/fulltext
Reference98 articles.
1. Perspective on density functional theory
2. Perspective: Fifty years of density-functional theory in chemical physics
3. Theoretical Approaches to Structure and Spectroscopy of Earth Materials
4. Density functional theory: Its origins, rise to prominence, and future
5. Computational predictions of energy materials using density functional theory
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. WS2(RE)/Si2(X)H co-doped heterojunctions for wide-spectrum and high-performance photodetections;Journal of Optics;2024-01-31
2. Role of Jahn-Teller distortion in the relative stability between the black and yellow phases of transition metal doped CsSnI3 perovskites;Physical Review B;2024-01-26
3. Magnetic and thermoelectric properties of REMoN3 (RE = La, Ce, Pr, Nd, and Sm): A first‐principles study;International Journal of Quantum Chemistry;2024-01-22
4. Machine learning advent and derivative discontinuity of DFT functionals over gap state predictions among ACeO3 (A = Ba2+, Sr2+, Ca2+, Mg2+) proton conductors;Computational Materials Science;2024-01
5. Simulation of Crystal Growth by an Innovative Hybrid Density Functional Theory Continuum Solvation Approach: Kink Site Formation on Barite (001);Crystal Growth & Design;2023-12-15
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