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Jastrow correlation factor for atoms, molecules, and solids

Research output: Contribution to journalJournal article


Article number235119
<mark>Journal publication date</mark>17/12/2004
<mark>Journal</mark>Physical Review B
Number of pages11
<mark>Original language</mark>English


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.

Bibliographic note

© 2004 The American Physical Society