Jastrow correlation factor for atoms, molecules, and solids

2008/01/02 by N. D. Drummond, M. D. Towler, R. J. Needs · 1 citation
Physics and Astronomy · #physics.comp-ph

paper · pdf · doi:10.1103/physrevb.70.235119

published as Phys. Rev. B 70, 235119 (2004)

arxiv created 2008/01/02 · arxiv updated 2009/12/01

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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