ABSOLUTE ELECTRONEGATIVITIES AS DETERMINED FROM KOHN-SHAM THEORY

被引:0
|
作者
BARTOLOTTI, LJ
机构
关键词
D O I
暂无
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:27 / 40
页数:14
相关论文
共 50 条
  • [21] Kohn-Sham theory for ground-state ensembles
    Ullrich, CA
    Kohn, W
    PHYSICAL REVIEW LETTERS, 2001, 87 (09) : 930011 - 930014
  • [22] Element orbitals for Kohn-Sham density functional theory
    Lin, Lin
    Ying, Lexing
    PHYSICAL REVIEW B, 2012, 85 (23):
  • [23] Numerical methods for Kohn-Sham density functional theory
    Lin, Lin
    Lu, Jianfeng
    Ying, Lexing
    ACTA NUMERICA, 2019, 28 : 405 - 539
  • [24] Inverse Kohn-Sham Equations Derived from the Density Equation Theory
    Kato, Tsuyoshi
    Nobusada, Katsuyuki
    Saito, Shinji
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2020, 89 (02)
  • [25] Comment on "Investigation of the correlation potential from Kohn-Sham perturbation theory"
    Niquet, YM
    Fuchs, M
    Gonze, X
    PHYSICAL REVIEW LETTERS, 2003, 90 (21)
  • [26] Fast algorithms for Kohn-Sham density functional theory
    Lin, Lin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [27] 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
  • [28] Time-dependent generalized Kohn-Sham theory
    Baer, Roi
    Kronik, Leeor
    EUROPEAN PHYSICAL JOURNAL B, 2018, 91 (07):
  • [29] FUKUI FUNCTION, ELECTRONEGATIVITY AND HARDNESS IN THE KOHN-SHAM THEORY
    GAZQUEZ, JL
    VELA, A
    GALVAN, M
    STRUCTURE AND BONDING, 1987, 66 : 79 - 97
  • [30] Exact Generalized Kohn-Sham Theory for Hybrid Functionals
    Garrick, Rachel
    Natan, Amir
    Gould, Tim
    Kronik, Leeor
    PHYSICAL REVIEW X, 2020, 10 (02)