Beyond Kohn-Sham approximation: Hybrid wave function and multistate density functional theory (MSDFT) for ground and excited states

被引:0
|
作者
Gao, Jiali [1 ]
机构
[1] Univ Minnesota, Minneapolis, MN USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
510
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Beyond Kohn Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory
    Gao, Jiali
    Grofe, Adam
    Ren, Haisheng
    Bao, Peng
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 7 (24): : 5143 - 5149
  • [2] The Devil's Triangle of Kohn-Sham density functional theory and excited states
    Mendes, Rodrigo A.
    Haiduke, Roberto L. A.
    Bartlett, Rodney J.
    JOURNAL OF CHEMICAL PHYSICS, 2021, 154 (07):
  • [3] Building Kohn-Sham Potentials for Ground and Excited States
    Garrigue, Louis
    ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS, 2022, 245 (02) : 949 - 1003
  • [4] Calculating excited state properties using Kohn-Sham density functional theory
    Hanson-Heine, Magnus W. D.
    George, Michael W.
    Besley, Nicholas A.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (06):
  • [5] Polarization in Kohn-Sham density-functional theory
    Raffaele Resta
    The European Physical Journal B, 2018, 91
  • [6] Kohn-Sham formulation of density-functional theory
    Klein, A
    Dreizler, RM
    PHYSICAL REVIEW A, 1998, 58 (02): : 1581 - 1584
  • [7] Kohn-Sham density functional theory of Abelian anyons
    Hu, Yayun
    Murthy, G.
    Rao, Sumathi
    Jain, J. K.
    PHYSICAL REVIEW B, 2021, 103 (03)
  • [8] Dissociation limit in Kohn-Sham density functional theory
    Behr, Soeren
    Graswald, Benedikt R.
    NONLINEAR ANALYSIS-THEORY METHODS & APPLICATIONS, 2022, 215
  • [9] Strong Correlation in Kohn-Sham Density Functional Theory
    Malet, Francesc
    Gori-Giorgi, Paola
    PHYSICAL REVIEW LETTERS, 2012, 109 (24)
  • [10] Element orbitals for Kohn-Sham density functional theory
    Lin, Lin
    Ying, Lexing
    PHYSICAL REVIEW B, 2012, 85 (23):