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Jastrow correlation factor for atoms, molecules, and solids

Research output: Contribution to journalJournal article

Published

Article number235119
Journal publication date17/12/2004
JournalPhysical Review B
Journal number23
Volume70
Number of pages11
Original languageEnglish

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.

Bibliographic note

© 2004 The American Physical Society