EXPRESSION OF THE EXACT ELECTRON-CORRELATION-ENERGY DENSITY-FUNCTIONAL IN TERMS OF FIRST-ORDER DENSITY-MATRICES

被引：41

作者：

SAVIN, A

机构：

[1] Laboratoire Dynamique des Interactions Moléculaires (CNRS), Université Pierre et Marie Curie

来源：

PHYSICAL REVIEW A | 1995年 / 52卷 / 03期

关键词：

D O I：

10.1103/PhysRevA.52.R1805

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The density-functional correlation energy is given in terms of first-order density matrices. These are generated either by switching off the electron-electron interaction, or by a uniform scaling of the density. An expression using Kohn-Sham exchange-only eigenvalues is also given.

引用

页码：R1805 / R1807

页数：3

共 11 条

[1]

DAVIDSON ER, 1976, REDUCED DENSITY MATR, P51

[2] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM [J].