4.6 Article

Jastrow correlation factor for atoms, molecules, and solids

Journal

PHYSICAL REVIEW B
Volume 70, Issue 23, Pages -

Publisher

AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.70.235119

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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.

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