Jastrow correlation factor for periodic systems
Strongly Correlated Electrons
2016-08-10 v1
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.
Cite
@article{arxiv.1607.05921,
title = {Jastrow correlation factor for periodic systems},
author = {T. M. Whitehead and M. H. Michael and G. J. Conduit},
journal= {arXiv preprint arXiv:1607.05921},
year = {2016}
}
Comments
10 pages, 4 figures