Jastrow correlation factor for atoms, molecules, and solids

Details Jastrow correlation factor for atoms, molecules, and solids Jastrow correlation factor for atoms, molecules, and solids

2008-01-02

arxiv.org/abs/0801.0378v1

Phys. Rev. B 70, 235119 (2004)

Physics

Computational Physics

Scientific paper

10.1103/PhysRevB.70.235119

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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