Spherically and system-averaged pair density functional theory

被引:23
|
作者
Nagy, A. [1 ]
机构
[1] Univ Debrecen, Dept Theoret Phys, H-4032 Debrecen, Hungary
[2] Hungarian Acad Sci, Atom & Mol Phys Res Grp, H-4010 Debrecen, Hungary
来源
JOURNAL OF CHEMICAL PHYSICS | 2006年 / 125卷 / 18期
基金
匈牙利科学研究基金会;
关键词
D O I
10.1063/1.2370948
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
In a couple of recent papers Gori-Giorgi and Savin [Phys. Rev. A 71, 032513 (2005)] proposed a theory that provides simple radial equations to generate the spherically and system averaged pair density. In a recent density matrix functional theory [A. Nagy, Phys. Rev. A 66, 022505 (2002)] it was shown that the problem of an arbitrary system can be reduced to a two-particle problem. Based on this theory, via a double adiabatic connection, it is rigorously derived that the square root of the ground-state spherically and system averaged pair density is the solution of a simple radial equation, that is, contrary to the theory of Gori-Giorgi and Savin only a single equation has to be considered.
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页数:5
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