BEYOND THE LOCAL-SPIN-DENSITY APPROXIMATION IN ATOMS - EXACT-EXCHANGE EXTENSION OF THE THEORY

被引:0
|
作者
BARONI, S [1 ]
TUNCEL, E [1 ]
机构
[1] ECOLE POLYTECH FED LAUSANNE,INST PHYS THEOR,CH-1015 LAUSANNE,SWITZERLAND
来源
HELVETICA PHYSICA ACTA | 1984年 / 57卷 / 02期
关键词
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:295 / 295
页数:1
相关论文
共 50 条
  • [1] EXACT-EXCHANGE EXTENSION OF THE LOCAL-SPIN-DENSITY APPROXIMATION IN ATOMS .2. THE IRON SERIES
    BARONI, S
    JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11): : 5703 - 5708
  • [2] EXACT-EXCHANGE EXTENSION OF THE LOCAL-SPIN-DENSITY APPROXIMATION IN ATOMS - CALCULATION OF TOTAL ENERGIES AND ELECTRON-AFFINITIES
    BARONI, S
    TUNCEL, E
    JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12): : 6140 - 6144
  • [3] EXTENSION OF THE LOCAL-SPIN-DENSITY EXCHANGE-CORRELATION APPROXIMATION TO MULTIPLET STATES
    BECKE, AD
    SAVIN, A
    STOLL, H
    THEORETICA CHIMICA ACTA, 1995, 91 (3-4): : 147 - 156
  • [4] GRADIENT-FREE EXCHANGE-CORRELATION FUNCTIONAL BEYOND THE LOCAL-SPIN-DENSITY APPROXIMATION
    PROYNOV, EI
    VELA, A
    SALAHUB, DR
    PHYSICAL REVIEW A, 1994, 50 (05): : 3766 - 3774
  • [5] Extension of exact-exchange density functional theory of solids to finite temperatures
    Greiner, Maximilian
    Carrier, Pierre
    Goerling, Andreas
    PHYSICAL REVIEW B, 2010, 81 (15)
  • [6] Exact-exchange spin-current density-functional theory
    Rohra, Stefan
    Goerling, Andreas
    PHYSICAL REVIEW LETTERS, 2006, 97 (01)
  • [7] Electron affinity in density-functional theory in the local-spin-density approximation
    Filippetti, A
    PHYSICAL REVIEW A, 1998, 57 (02): : 914 - 919
  • [8] Exact-exchange density functional theory for hyperpolarizabilities
    Bokhan, Denis
    Bartlett, Rodney J.
    JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (17):
  • [9] Overhauser's spin-density wave in exact-exchange spin-density functional theory
    Kurth, S.
    Eich, F. G.
    PHYSICAL REVIEW B, 2009, 80 (12):
  • [10] ADEQUACY OF THE LOCAL-SPIN-DENSITY APPROXIMATION FOR GD
    SINGH, DJ
    PHYSICAL REVIEW B, 1991, 44 (14): : 7451 - 7454