Kohn-Sham density-functional approach to strong correlations

被引：0
|
作者：
Becke, Axel D. [1 ]
机构：
[1] Dalhousie Univ, Dept Chem, Halifax, NS, Canada
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 243卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
242-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [31] Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods
    Goerling, Andreas
    Ipatov, Andrey
    Goetz, Andreas W.
    Hesselmann, Andreas
    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2010, 224 (3-4): : 325 - 342
  • [32] The kinetic energy density in Kohn-Sham density functional theory
    Bhattacharyya, A
    Furnstahl, RJ
    NUCLEAR PHYSICS A, 2005, 747 (2-4) : 268 - 294
  • [33] Element orbitals for Kohn-Sham density functional theory
    Lin, Lin
    Ying, Lexing
    PHYSICAL REVIEW B, 2012, 85 (23):
  • [34] Numerical methods for Kohn-Sham density functional theory
    Lin, Lin
    Lu, Jianfeng
    Ying, Lexing
    ACTA NUMERICA, 2019, 28 : 405 - 539
  • [35] Dissociation limit in Kohn-Sham density functional theory
    Behr, Soeren
    Graswald, Benedikt R.
    NONLINEAR ANALYSIS-THEORY METHODS & APPLICATIONS, 2022, 215
  • [36] Kohn-Sham density functional theory of Abelian anyons
    Hu, Yayun
    Murthy, G.
    Rao, Sumathi
    Jain, J. K.
    PHYSICAL REVIEW B, 2021, 103 (03)
  • [37] Fast algorithms for Kohn-Sham density functional theory
    Lin, Lin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [38] ON THE ANALYSIS OF THE DISCRETIZED KOHN-SHAM DENSITY FUNCTIONAL THEORY
    Liu, Xin
    Wen, Zaiwen
    Wang, Xiao
    Ulbrich, Michael
    Yuan, Yaxiang
    SIAM JOURNAL ON NUMERICAL ANALYSIS, 2015, 53 (04) : 1758 - 1785
  • [39] Generation of functional derivatives in Kohn-Sham density-functional theory (vol 100, pg 93, 1997)
    Jemmer, P
    Knowles, PJ
    COMPUTER PHYSICS COMMUNICATIONS, 1997, 103 (01) : 95 - 96
  • [40] Calculation of nonadiabatic couplings with restricted open-shell Kohn-Sham density-functional theory
    Billeter, Salomon R.
    Egli, Daniel
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (22):
12345