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A cardinal obstacle to understanding and predicting quantitatively the properties of solids and large molecules is that, for these systems, it is very challenging to describe beyond the mean-field level the quantum-mechanical interactions between electrons belonging to different atoms. Here we show that there exists an exact dual equivalence relationship between the seemingly-distinct physical problems of describing local and non-local interactions in many-electron systems. This is accomplished using a theoretical construction analogue to the quantum link approach in lattice gauge theories, featuring the non-local electron-electron interactions as if they were mediated by auxiliary high-energy fermionic particles interacting in a purely-local fashion. Besides providing an alternative theoretical direction of interpretation, this result may allow us to study both local and non-local interactions on the same footing, utilizing the powerful state-of-the-art theoretical and computational frameworks already available.
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the GW approximation. We deriv
We used fully correlated ab initio calculations to determine the effective parameters of Hubbard and t - J models for the thermoelectric misfit compound $rm Ca_3Co_4O_9$. As for the $rm Na_xCoO_2$ family the Fermi level orbitals are the $a_{1g}$ orbi
A technique allowing for a perturbative treatment of nonlocal corrections to the single-site dynamical mean-field theory (DMFT) in finite dimensions is developed. It is based on the observation that in the case of strong electron correlation the one-
To explore correlated electrons in the presence of local and non-local disorder, the Blackman-Esterling-Berk method for averaging over off-diagonal disorder is implemented into dynamical mean-field theory using tensor notation. The impurity model com
Recently, rutile RuO$_2$ has raised interest for its itinerant antiferromagnetism, crystal Hall effect, and strain-induced superconductivity. Understanding and manipulating these properties demands resolving the electronic structure and the relative