Jastrow correlation factor for atoms, molecules, and solids
Computational Physics
2008-01-03 v1
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.
Cite
@article{arxiv.0801.0378,
title = {Jastrow correlation factor for atoms, molecules, and solids},
author = {N. D. Drummond and M. D. Towler and R. J. Needs},
journal= {arXiv preprint arXiv:0801.0378},
year = {2008}
}