Towards a potential-based conjugate gradient algorithm for order-Nself-consistent total energy calculations
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.54.4383/fulltext
Reference29 articles.
1. The Recursive Solution of the Schrodinger Equation
2. Efficient Linear Scaling Algorithm for Tight-Binding Molecular Dynamics
3. Tight-binding electronic-structure calculations and tight-binding molecular dynamics with localized orbitals
Cited by 217 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. Effect of doping IVB, VB and VIB elements on structure, stability, elastic and electronic properties of the O and B2 of Ti2AlNb intermetallic: A first principles study;Journal of Physics and Chemistry of Solids;2023-08
2. Strain induced variations in transport and optical properties of SrVO3: a DFT + U study;The European Physical Journal B;2023-06
3. Resta-like preconditioning for self-consistent field iterations in the linearized augmented planewave method;Electronic Structure;2022-11-28
4. Temperature-dependent structural, mechanical, and thermodynamic properties of B2-phase Ti2AlNb for aerospace applications;Journal of Materials Science;2022-10-12
5. Constrained Density Functional Theory: A Potential-Based Self-Consistency Approach;Journal of Chemical Theory and Computation;2022-09-13
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