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arxiv: cond-mat/0406472 · v1 · submitted 2004-06-21 · ❄️ cond-mat.str-el

Decoupling method for dynamical mean field theory calculations

classification ❄️ cond-mat.str-el
keywords methodmodeldecouplingdynamicalfieldhubbardimpuritymaterials
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In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite $U$ Hubbard model, the periodic Anderson model and the $pd$ model. This simple and numerically efficient approach yields the spectra expected for strongly correlated materials, with a quasiparticle peak and a Hubbard band. It works in a large range of parameters, and therefore can be used for the exploration of real materials using LDA+DMFT.

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