Intracule functional models: I. Angle-corrected correlation kernels

被引：20

作者：

Dumont, Elise E. ^{[1
]}

Crittenden, Deborah L. ^{[1
]}

Gill, Peter M. W. ^{[1
]}

机构：

[1] Australian Natl Univ, Res Sch Chem, Canberra, ACT 0200, Australia

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2007年 / 9卷 / 39期

关键词：

D O I：

10.1039/b709513a

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：

We explore the merits of applying a simple angle-dependent correction to the correlation kernel within the framework of Hartree-Fock-Wigner theory. Based on numerical results for the first eighteen atoms, we conclude that such a correction offers a significant improvement over the action kernel that we and others have explored previously.

引用

页码：5340 / 5343

页数：4

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