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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: Article
    Journal or Publication Title: Physical Review B
    Additional Information: © 2004 The American Physical Society
    Subjects: Q Science > QC Physics
    Departments: Faculty of Science and Technology > Physics
    ID Code: 55615
    Deposited By: ep_importer_pure
    Deposited On: 10 Jul 2012 09:59
    Refereed?: Yes
    Published?: Published
    Last Modified: 09 Apr 2014 23:45
    Identification Number:
    URI: http://eprints.lancs.ac.uk/id/eprint/55615

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