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Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations

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Article number115134
<mark>Journal publication date</mark>15/09/2023
<mark>Journal</mark>Physical Review B: Condensed Matter and Materials Physics
Issue number11
Volume108
Publication StatusPublished
<mark>Original language</mark>English

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

r
s

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 parametrize a local spin density approximation correlation function for inhomogeneous electron systems.