Abstract

The optimized single-particle wave functions contained in the parameters of the Hubbard model (hopping integral t and intraatomic interaction U) are determined explicitly in the correlated state for electronic systems of various symmetries and dimensions: Hubbard chain, square and triangular lattices, and the three cubic lattices: SC, BCC, and FCC. In effect, the electronic properties of these structures as a function of the interatomic distance R are obtained. In most cases, the model parameters do not scale linearly with the lattice constant. Also, the atomic part of the total ground state energy changes with the U/t ratio and therefore should be (and is) included in the analysis. The solutions of dimensions D > 1 are analyzed by utilizing the approximate Gutzwiller treatment.

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