Density scaling and exchange-correlation energy

被引：14

作者：

Nagy, A ^{[1
]}

机构：

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

[2] Hungarian Acad Sci, Atom & Mol Phys Res Grp, H-4010 Debrecen, Hungary

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 04期

基金：

匈牙利科学研究基金会;

关键词：

D O I：

10.1063/1.1979473

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 exchange-correlation energy is studied using the density scaling proposed by Chan and Handy [G. K.-L. Chan and N. C. Handy, Phys. Rev. A 59, 2670 (1999)]. It is shown that there exists a value of the scaling factor for which the correlation energy disappears. The optimized potential method and the Krieger-Li-Iafrate approach are generalized to incorporate correlation. (C) 2005 American Institute of Physics.

引用

页数：5

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