Jastrow correlation factor for atoms, molecules, and solids

Drummond, Neil and Towler, M. D. and Needs, R. J. (2004) Jastrow correlation factor for atoms, molecules, and solids. Physical Review B, 70 (23). ISSN 1550-235X

e235119.pdf - Published Version

Download (115kB)


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.

Item Type: Journal Article
Journal or Publication Title: Physical Review B
Additional Information: © 2004 The American Physical Society
Departments: Faculty of Science and Technology > Physics
ID Code: 55615
Deposited By: ep_importer_pure
Deposited On: 10 Jul 2012 08:59
Refereed?: Yes
Published?: Published
Last Modified: 10 Jun 2019 21:29
URI: https://eprints.lancs.ac.uk/id/eprint/55615

Actions (login required)

View Item View Item