Jastrow correlation factor for periodic systems
Accepted version
Peer-reviewed
Repository URI
Repository DOI
Change log
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
2469-9969
Volume Title
94
Publisher
American Physical Society (APS)
Publisher DOI
Sponsorship
Engineering and Physical Sciences Research Council (EP/J017639/1)
EPSRC (1492522)
EPSRC (1492522)
Engineering and Physical Sciences Research Council [Grant ID: EP/J017639/1], Gonville & Caius College, Royal Society