Abstract
A density functional theory of lattice fermion models has been developed using the single-particle density matrix γij as basic variable. The interaction-energy functional W(γ) of the repulsive Hubbard model derives from exact dimer results, scaling properties of W(γ) and known limits. Lattice density-functional theory is applied to the three-dimensional Hubbard model. Results for the ground-state energy and charge-excitation gap of the simple-cubic lattice are presented and discussed as a function of U/t and band filling.
Published Version
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