Density-matrix functional theory of strongly correlated lattice fermions

R. López-Sandoval and G. M. Pastor
Phys. Rev. B 66, 155118 – Published 29 October 2002
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Abstract

A density-functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix γij as basic variable. A simple, explicit approximation to the interaction-energy functional W[γ] of the Hubbard model is derived from exact dimer results, scaling properties of W[γ] and known limits. Systematic tests on the one-dimensional chain show a remarkable agreement with the Bethe-ansatz exact solution for all interaction regimes and band fillings. New results are obtained for the ground-state energy and charge-excitation gap in two dimensions. A successful description of strong electron correlations within DFT is achieved.

  • Received 1 May 2002

DOI:https://doi.org/10.1103/PhysRevB.66.155118

©2002 American Physical Society

Authors & Affiliations

R. López-Sandoval

  • Instituto Potosino de Investigación Científica y Tecnológica, Avenida Venustiano Carranza 2425-A, 78210 San Luis Potosí, México

G. M. Pastor

  • Laboratoire de Physique Quantique, Université Paul Sabatier, Centre National de la Recherche Scientifique, 118 route de Narbonne, 31062 Toulouse, France

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Issue

Vol. 66, Iss. 15 — 15 October 2002

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