Jastrow correlation factor for periodic systems

T. M. Whitehead, M. H. Michael, and G. J. Conduit
Phys. Rev. B 94, 035157 – Published 28 July 2016

Abstract

We propose a Jastrow factor for electron-electron correlations that interpolates between the radial symmetry of the Coulomb interaction at short interparticle distance and the space-group symmetry of the simulation cell at large separation. The proposed Jastrow factor captures comparable levels of the correlation energy to current formalisms, is 40% quicker to evaluate, and offers benefits in ease of use, as we demonstrate in quantum Monte Carlo simulations.

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  • Received 26 May 2016
  • Revised 15 July 2016

DOI:https://doi.org/10.1103/PhysRevB.94.035157

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

T. M. Whitehead, M. H. Michael, and G. J. Conduit

  • Cavendish Laboratory, J.J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom

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Issue

Vol. 94, Iss. 3 — 15 July 2016

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