The correlation energy in terms of density moments along the adiabatic connection in the density functional theory

被引：16

作者：

Bene, E ^{[1
]}

Nagy, A ^{[1
]}

机构：

[1] Univ Debrecen, Dept Theoret Phys, H-4010 Debrecen, Hungary

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 324卷 / 5-6期

基金：

匈牙利科学研究基金会;

关键词：

D O I：

10.1016/S0009-2614(00)00674-6

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：

Hierarchies of equations for the correlation energy and kinetic energy correction functionals are reviewed. Truncation of the hierarchies at different orders leads to explicit relations for the correlation energy and its kinetic component which are expanded in terms of powers of the moments of the electron density. The dependence of the correlation energy on the adiabatic constant is presented for several atoms and ions. For some two- and four-electron systems the correlation energy and its derivative are compared with the exact results, and with the local density and the generalized gradient values. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：475 / 481

页数：7

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