J. Bunemann et al., MULTIBAND GUTZWILLER WAVE-FUNCTIONS FOR GENERAL ON-SITE INTERACTIONS, Physical review. B, Condensed matter, 57(12), 1998, pp. 6896-6916
We introduce Gutzwiller wave functions for multiband models with gener
al on-site Coulomb interactions. As these wave functions employ correl
ators for the exact atomic eigenstates, they are exact both in the non
interacting and atomic limits. We evaluate them in infinite lattice di
mensions 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 o
ne-electron Hamiltonian for Landau quasiparticles, applicable for fini
te temperatures and frequencies within the Fermi-liquid regime. As app
lications for a two-band model we study the Brinkman-Rice metal-to-ins
ulator transition at half-band-filling, and the transition to itineran
t ferromagnetism for two specific fillings, at and close to a peak in
the density of states of the noninteracting system. Our results signif
icantly differ from those for earlier Gutzwiller wave functions where
only density-type interactions were included. When the correct spin sy
mmetries for the two-electron states are taken into account, the impor
tance of the Hund's-rule exchange interaction is even more pronounced,
and leads to paramagnetic metallic ground states with large local mag
netic moments. Ferromagnetism requires fairly large interaction streng
ths, and the resulting ferromagnetic state is a strongly correlated me
tal.