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.
- Received 19 August 2004
DOI:https://doi.org/10.1103/PhysRevB.70.235119
©2004 American Physical Society