UPPER-BOUNDS TO THE ELECTRON-ELECTRON COALESCENCE DENSITY IN TERMS OF THE ONE-ELECTRON DENSITY-FUNCTION

被引:30
作者
UGALDE, JM
SARASOLA, C
机构
[1] Kimika Fakultatea, Euskal Herriko Unibertsitatea, 20080 Donostia, Euskadi
来源
PHYSICAL REVIEW A | 1994年 / 49卷 / 04期
关键词
D O I
10.1103/PhysRevA.49.3081
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
An expression that allows one to evaluate the electron-electron coalescence density in terms of the one-electron density function at the Hartree-Fock level is derived. Then it is shown, by calculation with highly accurate wave functions of He-like ions, that this expression represents a simple and accurate upper bound to the electron-electron coalescence density for nearly exact wave functions.
引用
收藏
页码:3081 / 3082
页数:2
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