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

Autor:	Azadi, Sam, Drummond, N. D., Vinko, Sam. M.
Rok vydání:	2023
Předmět:	Condensed Matter - Strongly Correlated Electrons Physics - Chemical Physics Physics - Plasma Physics Quantum Physics
Druh dokumentu:	Working Paper
Popis:	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. Comment: arXiv admin note: substantial text overlap with arXiv:2209.10227
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2306.13426 Zobrazit plný text záznamu View this record from Arxiv