Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4868242
Reference86 articles.
1. New Developments in Molecular Orbital Theory
2. Self-Consistent Field Theory for Open Shells of Electronic Systems
3. The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials
4. A ?Level-Shifting? method for converging closed shell Hartree-Fock wave functions
5. Unconditional convergence in SCF theory: a general level shift technique
Cited by 7 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. ManyHF: A pragmatic automated method of finding lower-energy Hartree–Fock solutions for potential energy surface development;The Journal of Chemical Physics;2022-02-21
2. Toward a Resolution of the Static Correlation Problem in Density Functional Theory from Semidefinite Programming;The Journal of Physical Chemistry Letters;2020-12-24
3. Rigorous Lower Bounds for the Ground State Energy of Molecules by Employing Necessary N-Representability Conditions;Journal of Chemical Theory and Computation;2020-11-13
4. Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma;Physical Review Letters;2019-09-10
5. Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree–Fock Theory;Journal of Chemical Theory and Computation;2018-03-29
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