EXCHANGE AND CORRELATION ENERGIES IN DENSITY-FUNCTIONAL THEORY - BOUNDS FROM AVAILABLE DATA

被引：42
作者：
SAHNI, V
LEVY, M
机构：
[1] TULANE UNIV,DEPT CHEM,NEW ORLEANS,LA 70118
[2] TULANE UNIV,QUANTUM THEORY GRP,NEW ORLEANS,LA 70118
来源：
PHYSICAL REVIEW B | 1986年 / 33卷 / 06期
关键词：
D O I：
10.1103/PhysRevB.33.3869
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
收藏
页码：3869 / 3872
页数：4
相关论文
共 29 条
  • [1] PROPERTIES OF SINGLE-TERM ATOMIC STATES CALCULATED IN A VARIATIONALLY OPTIMIZED-LOCAL-CENTRAL-POTENTIAL MODEL
    AASHAMAR, K
    LUKE, TM
    TALMAN, JD
    [J]. PHYSICAL REVIEW A, 1979, 19 (01): : 6 - 16
  • [2] DENSITY-FUNCTIONAL EXCHANGE-CORRELATION POTENTIALS AND ORBITAL EIGENVALUES FOR LIGHT-ATOMS
    ALMBLADH, CO
    PEDROZA, AC
    [J]. PHYSICAL REVIEW A, 1984, 29 (05): : 2322 - 2330
  • [3] ACCURATE DETERMINATION OF TOTAL ELECTRONIC-ENERGY OF BERYLLIUM GROUND-STATE
    BUNGE, CF
    [J]. PHYSICAL REVIEW A, 1976, 14 (06): : 1965 - 1978
  • [4] da Providencia J, 1985, DENSITY FUNCTIONAL M
  • [5] FISCHER CF, 1977, HARTREEFOCK METHOD A
  • [6] RIGOROUS FORMULATION OF THE KOHN AND SHAM THEORY
    HADJISAVVAS, N
    THEOPHILOU, A
    [J]. PHYSICAL REVIEW A, 1984, 30 (05): : 2183 - 2186
  • [7] SURFACE-ENERGY OF A BOUNDED ELECTRON-GAS
    HARRIS, J
    JONES, RO
    [J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1974, 4 (08): : 1170 - 1186
  • [8] INHOMOGENEOUS ELECTRON-GAS
    RAJAGOPAL, AK
    CALLAWAY, J
    [J]. PHYSICAL REVIEW B, 1973, 7 (05) : 1912 - 1919
  • [9] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
    KOHN, W
    SHAM, LJ
    [J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &
  • [10] BEYOND THE LOCAL-DENSITY APPROXIMATION IN CALCULATIONS OF GROUND-STATE ELECTRONIC-PROPERTIES
    LANGRETH, DC
    MEHL, MJ
    [J]. PHYSICAL REVIEW B, 1983, 28 (04): : 1809 - 1834
123