Multiband Gutzwiller wave functions for general on-site interactions

Abstract

We introduce Gutzwiller wave functions for multi-band models with general on-site Coulomb interactions. As these wave functions employ correlators for the exact atomic eigenstates they are exact both in the non-interacting and in the atomic limit. We evaluate them in infinite lattice dimensions for all interaction strengths without any restrictions on the structure of the Hamiltonian or the symmetry of the ground state. The results for the ground-state energy allow us to derive an effective one-electron Hamiltonian for Landau quasi-particles, applicable for finite temperatures and frequencies within the Fermi-liquid regime.As applications for a two-band model we study the Brinkman-Rice metalto-insulator transition at half band-filling, and the transition to itinerant ferromagnetism for two specific fillings, at and close to a peak in the density of states of the non-interacting system. Our new results significantly differ from those for earlier Gutzwiller wave functions where only density-type interactions were included. When the correct spin symmetries for the two-electron states are taken into account, the importance of the Hund's-rule exchange interaction is even more pronounced and leads to paramagnetic metallic ground states with large local magnetic moments. Ferromagnetism requires fairly large interaction strengths, and the resulting ferromagnetic state is a strongly correlated metal. 71.10.Fd, 71.30.+h, 75.10.Lp, 75.50.Cc

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“…The optical lattice amplitude V 0 = 6.5E R , which is smaller than that for which the stable band insulator can be formed. The spatial sites number is 18 3 , and the confinement of the harmonic potential…”

Analysis of Particle Transfer by Periodic Lattice Modulation for Ultracold Fermionic Atom Systems in Three-Dimensional Optical Lattice

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Ab-Initio Gutzwiller Method: First Application to Plutonium

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