THE ATOM IN A MOLECULE - A DENSITY-MATRIX APPROACH

被引：77

作者：

LI, LM

PARR, RG

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 84卷 / 03期

关键词：

D O I：

10.1063/1.450468

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：

引用

页码：1704 / 1711

页数：8

共 18 条

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[9] UNIVERSAL VARIATIONAL FUNCTIONALS OF ELECTRON-DENSITIES, 1ST-ORDER DENSITY-MATRICES, AND NATURAL SPIN-ORBITALS AND SOLUTION OF THE V-REPRESENTABILITY PROBLEM [J].

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