Lopez Rios, P. and Seth, P. and Drummond, Neil and Needs, R. J. (2012) Framework for constructing generic Jastrow correlation factors. Physical Review E - Statistical, Nonlinear and Soft Matter Physics, 86 (3). 036703-036717.
Full text not available from this repository.Abstract
We have developed a flexible framework for constructing Jastrow factors which allows for the introduction of terms involving arbitrary numbers of particles. The use of various three- and four-body Jastrow terms in quantum Monte Carlo calculations is investigated, including a four-body van der Waals-like term, and anisotropic terms. We have tested these Jastrow factors on one- and two-dimensional homogeneous electron gases, the Be, B, and O atoms, and the BeH, H2O, N2, and H2 molecules. Our optimized Jastrow factors retrieve more than 90% of the fixed-node diffusion Monte Carlo correlation energy in variational Monte Carlo for each system studied.
| Item Type: | Article |
|---|---|
| Journal or Publication Title: | Physical Review E - Statistical, Nonlinear and Soft Matter Physics |
| Subjects: | Q Science > QC Physics |
| Departments: | Faculty of Science and Technology > Physics |
| ID Code: | 58953 |
| Deposited By: | ep_importer_pure |
| Deposited On: | 08 Oct 2012 13:40 |
| Refereed?: | Yes |
| Published?: | Published |
| Last Modified: | 08 Oct 2012 13:40 |
| Identification Number: | |
| URI: | http://eprints.lancs.ac.uk/id/eprint/58953 |
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