Decoupling method for dynamical mean field theory calculations

Details Decoupling method for dynamical mean field theory calculations Decoupling method for dynamical mean field theory calculations

2004-06-21

arxiv.org/abs/cond-mat/0406472v1

Phys. Rev. B 71, 085103 (2005)

Physics

Condensed Matter

Strongly Correlated Electrons

30 pages, 7 figures

Scientific paper

10.1103/PhysRevB.71.085103

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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