VALIDITY OF THE EXTENDED ELECTRON-ELECTRON CUSP CONDITION

被引:9
作者
BURKE, K
ANGULO, JC
PERDEW, JP
机构
[1] TULANE UNIV, SMALL ANIM MED GRP, NEW ORLEANS, LA 70118 USA
[2] UNIV GRANADA, FAC CIENCIAS, DEPT FIS MODERNA, E-18071 GRANADA, SPAIN
来源
PHYSICAL REVIEW A | 1994年 / 50卷 / 01期
关键词
D O I
10.1103/PhysRevA.50.297
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The extended cusp condition asserts than h(u)-a0 dh(u)/du greater-than-or-equal-to 0, where a0 is the Bohr radius, u is the interelectronic spacing, and h(u) is the angle-averaged pair density in the ground state. We prove that this inequality is obeyed by Hooke's atom for any value of the spring constant. However, we also show that this condition is violated by the uniform electron gas of high density. We explain the qualitative difference between these two systems by subtracting a long-range contribution from h(u), leaving a short-range contribution which is amenable to a local density approximation. Thus the extended cusp condition is not a universal property of the ground state of inhomogeneous electronic systems.
引用
收藏
页码:297 / 304
页数:8
相关论文
共 34 条
  • [1] GROUND-STATE OF THE FERMION ONE-COMPONENT PLASMA - MONTE-CARLO STUDY IN 2 AND 3 DIMENSIONS
    CEPERLEY, D
    [J]. PHYSICAL REVIEW B, 1978, 18 (07): : 3126 - 3138
  • [2] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
    CEPERLEY, DM
    ALDER, BJ
    [J]. PHYSICAL REVIEW LETTERS, 1980, 45 (07) : 566 - 569
  • [3] Davidson E. R., 1976, REDUCED DENSITY MATR
  • [4] INTERELECTRONIC MOMENTS OF ATOMIC SYSTEMS
    DEHESA, JS
    ANGULO, JC
    KOGA, T
    KASAI, Y
    [J]. PHYSICAL REVIEW A, 1993, 48 (01): : 832 - 835
  • [5] STUDY OF SOME INTERELECTRONIC PROPERTIES IN HELIUM-LIKE ATOMS
    DEHESA, JS
    ANGULO, JC
    KOGA, T
    MATSUI, K
    [J]. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1992, 25 (01): : 9 - 16
  • [6] BOUNDS TO THE CENTRAL ELECTRON-PAIR DENSITY WITH APPLICATIONS TO 2-ELECTRON ATOMS
    DEHESA, JS
    ANGULO, JC
    KOGA, T
    MATSUI, K
    [J]. PHYSICAL REVIEW A, 1993, 47 (06): : 5202 - 5205
  • [7] BOUNDS TO SOME LOCAL ELECTRON-PAIR PROPERTIES WITH APPLICATION TO 2-ELECTRON IONS
    DEHESA, JS
    ANGULO, JC
    KOGA, T
    KASAI, Y
    [J]. PHYSICAL REVIEW A, 1994, 50 (01): : 857 - 860
  • [8] THE ELECTRON-PAIR DENSITY OF ATOMIC SYSTEMS - RIGOROUS BOUNDS AND APPLICATION TO HELIUM
    DEHESA, JS
    ANGULO, JC
    KOGA, T
    [J]. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1992, 25 (01): : 3 - 8
  • [9] DREIZLER RM, 1990, DENSITY FUNCTIONAL T, P158
  • [10] COMPARISON OF EXACT AND APPROXIMATE DENSITY FUNCTIONALS FOR AN EXACTLY SOLUBLE MODEL
    FILIPPI, C
    UMRIGAR, CJ
    TAUT, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (02) : 1290 - 1296