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Jastrow correlation factor for periodic systems

Accepted version
Peer-reviewed

Type

Article

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Authors

Whitehead, TM 
Michael, MH 
Conduit, GJ 

Abstract

We propose a Jastrow factor for electron-electron correlations that interpolates between the radial symmetry of the Coulomb interaction at short inter-particle 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.

Description

Keywords

cond-mat.str-el, cond-mat.str-el

Journal Title

Physical Review B

Conference Name

Journal ISSN

2469-9950
2469-9969

Volume Title

94

Publisher

American Physical Society (APS)
Sponsorship
Engineering and Physical Sciences Research Council (EP/J017639/1)
EPSRC (1492522)
Engineering and Physical Sciences Research Council [Grant ID: EP/J017639/1], Gonville & Caius College, Royal Society
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