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.
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页数：5
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