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
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Official URL: http://dx.doi.org/10.1103/PhysRevB.70.235119
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.
| Item Type: | Article |
|---|---|
| Journal or Publication Title: | Physical Review B |
| Additional Information: | © 2004 The American Physical Society |
| Subjects: | Q Science > QC Physics |
| Departments: | Faculty of Science and Technology > Physics |
| ID Code: | 55615 |
| Deposited By: | ep_importer_pure |
| Deposited On: | 10 Jul 2012 09:59 |
| Refereed?: | Yes |
| Published?: | Published |
| Last Modified: | 26 Jul 2012 20:40 |
| Identification Number: | |
| URI: | http://eprints.lancs.ac.uk/id/eprint/55615 |
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