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
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.
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页码：1 / 11
页数：11
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