Correlation energy of the spin-polarized electron liquid by quantum Monte Carlo

• URL: http://arxiv.org/abs/2306.13426v1
• Date: Fri, 23 Jun 2023 10:24:59 GMT
• Title: Correlation energy of the spin-polarized electron liquid by quantum Monte Carlo
• Authors: Sam Azadi and N.D. Drummond and Sam. M. Vinko
• Abstract summary: We report ground state VMC and DMC energies in the density range $0.5 leq r_texts leq 20$. The DMC energies in the thermodynamic limit are used to parameterize a local spin density approximation correlation function for inhomogeneous electron systems.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron fluid. We report ground state VMC and DMC energies in the density range $0.5 \leq r_\text{s} \leq 20$. Finite-size errors are corrected using canonical-ensemble twist-averaged boundary conditions and extrapolation of the twist-averaged energy per particle calculated at three system sizes (N=113, 259, and 387) to the thermodynamic limit of infinite system size. The DMC energies in the thermodynamic limit are used to parameterize a local spin density approximation correlation function for inhomogeneous electron systems.

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