Jastrow correlation factor for atoms, molecules, and solids

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.

Cited by in corpus (7)

• Inhomogeneous backflow transformations in quantum Monte Carlo calculations
• Scheme for adding electron-nucleus cusps to Gaussian orbitals
• All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe
• van der Waals Interactions Between Thin Metallic Wires and Layers
• Quantum Monte Carlo study of the Ne atom and the Ne+ ion
• Quantum Monte Carlo, Density Functional Theory, and Pair Potential Studies of Solid Neon
• Total forces in the diffusion Monte Carlo method with nonlocal pseudopotentials