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arXiv · 0801.0378

Jastrow correlation factor for atoms, molecules, and solids

N. D. Drummond·M. D. Towler·R. J. Needs
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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.

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N. D. Drummond, M. D. Towler, R. J. Needs. 2008-01-02. Jastrow correlation factor for atoms, molecules, and solids. https://doi.org/10.1103/physrevb.70.235119

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