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We calculate ground-state energies and density distributions of Hubbard superlattices characterized by periodic modulations of the on-site interaction and the on-site potential. Both density-matrix renormalization group and density-functional methods are employed and compared. We find that small variations in the on-site potential $v_i$ can simulate, cancel, or even overcompensate effects due to much larger variations in the on-site interaction $U_i$. Our findings highlight the importance of nanoscale spatial inhomogeneity in strongly correlated systems, and call for reexamination of model calculations assuming spatial homogeneity.
We introduce a new linear response method to study the lattice dynamics of materials with strong correlations. It is based on a combination of dynamical mean field theory of strongly correlated electrons and the local density functional theory of ele
The search for semiconductors with high thermoelectric figure of merit has been greatly aided by theoretical modeling of electron and phonon transport, both in bulk materials and in nanocomposites. Recent experiments have studied thermoelectric trans
We propose a cellular version of dynamical-mean field theory which gives a natural generalization of its original single-site construction and is formulated in different sets of variables. We show how non-orthogonality of the tight-binding basis sets
We investigate the effects of weak to moderate disorder on the T=0 Mott metal-insulator transition in two dimensions. Our model calculations demonstrate that the electronic states close to the Fermi energy become more spatially homogeneous in the cri
First principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations become stronger often embedding methods based on first principle