On the electron-electron coalescence function in Hartree-Fock theory

被引:1
|
作者
Koga, T [1 ]
机构
[1] Muroran Inst Technol, Dept Appl Chem, Muroran, Hokkaido 0508585, Japan
关键词
D O I
10.1016/S0009-2614(01)00775-8
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
In many-electron systems, the electron-electron coalescence function I-0(R) represents the probability density that any two electrons are simultaneously located at a position R in three-dimensional space. For the Hartree-Fock wavefunctions. it is shown that the coalescence function I-0(R) is rigorously expressible in terms of the familiar single-electron density rho (r) and spin density S(r). The same is also true in momentum space. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:120 / 124
页数:5
相关论文
共 50 条