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Correlation energy of the paramagnetic electron gas at the thermodynamic limit

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Article numberL121105
<mark>Journal publication date</mark>15/03/2023
<mark>Journal</mark>Physical Review B: Condensed Matter and Materials Physics
Issue number12
Number of pages6
Publication StatusPublished
<mark>Original language</mark>English


The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground-state energies in finite cells are determined using Slater-Jastrow-backflow trial wave functions, and finite-size errors are removed using twist-averaged boundary conditions and extrapolation of the energy per particle to the thermodynamic limit of infinite system size. Our correlation energies in the thermodynamic limit are more accurate than previous results. The present diffusion quantum Monte Carlo energies together with our recently reported [Phys. Rev. B 105, 245135 (2022)] results at low density, are used to parametrize the correlation energy of the electron gas using a functional form that satisfies the exact asymptotic behavior at high density.