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A correction for the Hartree-Fock density of states for jellium without screening
2015
Journal of Chemical Physics
We revisit the Hartree-Fock (HF) calculation for the uniform electron gas, or jellium model, whose predictions -- divergent derivative of the energy dispersion relation and vanishing density of states (DOS) at the Fermi level -- are in qualitative disagreement with experimental evidence for simple metals. Currently, this qualitative failure is attributed to the lack of screening in the HF equations. Employing Slater's hyper-Hartree-Fock (HHF) equations, derived variationally, to study the
doi:10.1063/1.4909519
pmid:25725721
fatcat:hd7vcv4xgva3lkpaiq4xa4npbe