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Symmetry-broken local-density approximation for one-dimensional systems

Rogers, Fergus J. M.; Ball, Caleb J.; Loos, Pierre-François


Within density-functional theory, the local-density approximation (LDA) correlation functional is typically built by fitting the difference between the near-exact and Hartree-Fock (HF) energies of the uniform electron gas (UEG), together with analytic perturbative results from the high- and low-density regimes. Near-exact energies are obtained by performing accurate diffusion Monte Carlo calculations, while HF energies are usually assumed to be the Fermi fluid HF energy. However, it has...[Show more]

CollectionsANU Research Publications
Date published: 2016-05-25
Type: Journal article
Source: Physical Review B
DOI: 10.1103/PhysRevB.93.235114
Access Rights: Open Access


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