Analysis of dynamical and nondynamical components of electron correlation energy by means of local-scaling density-functional theory

被引：31

作者：

Valderrama, E ^{[1
]}

Ludena, EV ^{[1
]}

Hinze, J ^{[1
]}

机构：

[1] UNIV BIELEFELD,FAK CHEM,D-4800 BIELEFELD,GERMANY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1997年 / 106卷 / 22期

关键词：

D O I：

10.1063/1.474024

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 partitioning of electron correlation energy into dynamical and nondynamical components is examined in the context of the local-scaling transformation version of density-functional theory and its connection with the Hohenberg-Kohn-Sham density-functional-theory definition of electron correlation is discussed. The relative importance of these components is analyzed with reference to the helium atom and its isoelectronic series. The present results attest to the preponderantly dynamical character of the recovered correlation energy. (C) 1997 American Institute of Physics.

引用

页码：9227 / 9235

页数：9

共 33 条

[1]

[Anonymous], 1990, Energy Density Functional Theory of Many Electron Systems

[2] DENSITY-DRIVEN SELF-CONSISTENT-FIELD METHOD - DENSITY-CONSTRAINED CORRELATION ENERGIES IN THE HELIUM SERIES [J].