Some functional relations in the density functional theory of finite interacting electronic systems

被引：24
|
作者：
Parr, RG
Liu, SB
机构：
来源：
CHEMICAL PHYSICS LETTERS | 1997年 / 276卷 / 1-2期
关键词：
D O I：
10.1016/S0009-2614(97)00794-X
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Under certain assumptions, it is proved that for finite systems the electron-electron repulsion functional V-ee[rho] may be expressed in the form V-ee[rho]=<integral rho(r)delta V-ee[rho]/delta rho(r)dr-1/2 integral integral rho(r)rho(r')delta(2)V(ee)[rho]/delta(rho)(r)delta rho(r') drdr'. Also, V-ee[rho] + V-ee((1))[rho] + V-ee((2))[rho], where V-ee((1))[rho] and V-ee((2))[rho] are homogeneous functionals of degree 1 and 2 with respect to the density scaling, respectively, with V-ee((2))[rho] = -NVee(1)[rho]. (C) 1997 Elsevier Science B.V.
引用
收藏
页码：164 / 166
页数：3
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