Jastrow correlation factor for atoms, molecules, and solids

Drummond, Neil and Towler, M. D. and Needs, R. J. (2004) Jastrow correlation factor for atoms, molecules, and solids. Physical review B, 70 (23). ISSN 1550-235X

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Abstract

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.

Item Type:
Journal Article
Journal or Publication Title:
Physical review B
Additional Information:
© 2004 The American Physical Society
Uncontrolled Keywords:
/dk/atira/pure/researchoutput/libraryofcongress/qc
Subjects:
ID Code:
55615
Deposited By:
Deposited On:
10 Jul 2012 08:59
Refereed?:
Yes
Published?:
Published
Last Modified:
15 Aug 2020 02:23