Many-body electronic structure of LaScO3 by real-space quantum Monte Carlo
Author:
Funder
U.S. Department of Energy
Office of Science
Basic Energy Sciences
National Nuclear Security Administration
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.102.045103/fulltext
Reference48 articles.
1. Density-functional description of the electronic structure of LaMO3(M=Sc,Ti,V,Cr,Mn,Fe,Co,Ni)
2. Screened hybrid functional applied to 3d0→3d8transition-metal perovskites LaMO3(M = Sc–Cu): Influence of the exchange mixing parameter on the structural, electronic, and magnetic properties
3. Converged GW quasiparticle energies for transition metal oxide perovskites
4. Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3
5. Band alignment between (100)Si and complex rare earth∕transition metal oxides
Cited by 11 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. Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction;Journal of Chemical Theory and Computation;2024-08-30
2. A new generation of effective core potentials: Selected lanthanides and heavy elements;The Journal of Chemical Physics;2024-02-23
3. Mechanical, optoelectronic and thermoelectric properties of the transition metal oxide perovskites YScO3 and LaScO3: First principle calculation;Physica B: Condensed Matter;2023-04
4. Benchmarking fundamental gap of Sc2C(OH)2 MXene by many-body methods;The Journal of Chemical Physics;2023-02-07
5. Electronic structure of α−RuCl3 by fixed-node and fixed-phase diffusion Monte Carlo methods;Physical Review B;2022-08-15
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