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

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 344卷 / 1-2期

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

页码：120 / 124

页数：5

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