Jastrow correlation factor for atoms, molecules, and solids

被引：302

作者：

Drummond, ND ^{[1
]}

Towler, MD ^{[1
]}

Needs, RJ ^{[1
]}

机构：

[1] Univ Cambridge, Cavendish Lab, TCM Grp, Cambridge CB3 0HE, England

来源：

PHYSICAL REVIEW B | 2004年 / 70卷 / 23期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1103/PhysRevB.70.235119

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A form of Jastrow factor is introduced for use in quantum Monte Carlo simulations of finite and periodic systems. Test data are presented for atoms, molecules, and solids, including both all-electron and pseudopotential atoms. We demonstrate that our Jastrow factor is able to retrieve a large fraction of the correlation energy.

引用

页码：1 / 11

页数：11

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