Short-range corrections to the correlation hole

被引：15

作者：

Henderson, TM ^{[1
]}

Bartlett, RJ

机构：

[1] Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA

[2] Univ Coll Cork, Cork, Ireland

来源：

PHYSICAL REVIEW A | 2004年 / 70卷 / 02期

关键词：

D O I：

10.1103/PhysRevA.70.022512

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We present a model for the correlation hole to partially correct the errors present in short-range correlation when the hole is expanded in a one-particle basis set. Results for several two-electron test systems are presented and discussed. In general, the short-range correlation hole model improves the total energy substantially, reaching true chemical accuracy of one milliHartree with a modest basis set.

引用

页码：022512 / 1

页数：12

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