Sum rules for generalized electron-pair moments

被引：18
|
作者：
Koga, T [1 ]
机构：
[1] Muroran Inst Technol, Dept Appl Chem, Muroran, Hokkaido 0508585, Japan
来源：
JOURNAL OF CHEMICAL PHYSICS | 2001年 / 114卷 / 05期
关键词：
D O I：
10.1063/1.1337059
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：
The existence of an exceptional rigorous sum rule for the second generalized electron-pair moments 〈q2〉a,b, which combines one- and two-electron properties of atoms and molecules described by any exact or approximate wave function, which are apparently independent of each other are discussed. The electronic kinetic energy decomposition into the electron-pair relative and center-of-mass motion contributions was illustrated. Hartree atomic units are utilized throughout.
引用
收藏
页码：2511 / 2512
页数：2
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