English

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

Strongly Correlated Electrons 2025-11-11 v1 Chemical Physics Plasma Physics Quantum Physics

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 0.5rs200.5 \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.

Keywords

Cite

@article{arxiv.2306.13426,
  title  = {Correlation energy of the spin-polarized electron liquid by quantum Monte Carlo},
  author = {Sam Azadi and N. D. Drummond and Sam. M. Vinko},
  journal= {arXiv preprint arXiv:2306.13426},
  year   = {2025}
}

Comments

arXiv admin note: substantial text overlap with arXiv:2209.10227