INVESTIGATIONS OF NONLOCAL EXCHANGE AND CORRELATION EFFECTS IN METALS VIA DENSITY-FUNCTIONAL FORMALISM

被引：42
|
作者：
RASOLT, M
VOSKO, SH
机构：
[1] UNIV TORONTO,DEPT PHYS,TORONTO M5S 1A7,ONTARIO,CANADA
[2] UNIV TORONTO,ERINDALE COLL,TORONTO,ONTARIO,CANADA
来源：
PHYSICAL REVIEW B | 1974年 / 10卷 / 10期
关键词：
D O I：
10.1103/PhysRevB.10.4195
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
收藏
页码：4195 / 4204
页数：10
相关论文
共 50 条
  • [31] Density-functional calculations of semiconductor properties using a semiempirical exchange-correlation functional
    Rushton, PP
    Clark, SJ
    Tozer, DJ
    PHYSICAL REVIEW B, 2001, 63 (11)
  • [32] Functional relations for the density-functional exchange and correlation functionals connecting functionals at three densities
    Joubert, Daniel P.
    PHYSICAL REVIEW A, 2012, 85 (03)
  • [33] SELF-INTERACTION-CORRECTED DENSITY-FUNCTIONAL FORMALISM
    BIAGINI, M
    PHYSICAL REVIEW B, 1994, 49 (03): : 2156 - 2158
  • [34] DENSITY-FUNCTIONAL FORMALISM AND THE 2-BODY PROBLEM
    MOSCARDO, F
    SANFABIAN, E
    PHYSICAL REVIEW A, 1991, 44 (03): : 1549 - 1553
  • [35] EXCHANGE DENSITY-FUNCTIONAL GRADIENT EXPANSION
    KLEINMAN, L
    PHYSICAL REVIEW B, 1984, 30 (04): : 2223 - 2225
  • [36] A New Mixing of Nonlocal Exchange and Nonlocal Correlation with Multiconfiguration Pair-Density Functional Theory
    Pandharkar, Riddhish
    Hermes, Matthew R.
    Truhlar, Donald G.
    Gagliardi, Laura
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 11 (23): : 10158 - 10163
  • [37] EXCHANGE POTENTIALS IN DENSITY-FUNCTIONAL THEORY
    WANG, Y
    PERDEW, JP
    CHEVARY, JA
    MACDONALD, LD
    VOSKO, SH
    PHYSICAL REVIEW A, 1990, 41 (01): : 78 - 86
  • [38] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM
    GUNNARSSON, O
    LUNDQVIST, BI
    PHYSICAL REVIEW B, 1976, 13 (10) : 4274 - 4298
  • [39] Influence of exchange correlation on the symmetry and properties of siderite according to density-functional theory
    Badaut, V.
    Zeller, P.
    Dorado, B.
    Schlegel, M. L.
    PHYSICAL REVIEW B, 2010, 82 (20):
  • [40] ELECTRON CORRELATION AND DENSITY-FUNCTIONAL METHODS
    COOK, M
    KARPLUS, M
    JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (01) : 31 - 37
12345