Phys. Rev. B 70, 235119 (2004) [11 pages]Jastrow correlation factor for atoms, molecules, and solidsReceived 19 August 2004; revised 13 October 2004; published 17 December 2004 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. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.70.235119
DOI:
10.1103/PhysRevB.70.235119
PACS:
71.15.Dx, 31.25.−v
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.