4.6 Article

Decoupling method for dynamical mean-field theory calculations

Journal

PHYSICAL REVIEW B
Volume 71, Issue 8, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.71.085103

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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 the local density approximation and dynamical mean field theory.

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