We present a methodology to solve the Anderson impurity model in the context of dynamical mean field theory based on the exact-diagonalization method. We propose a strategy to effectively refine the exact-diagonalization solver by combining a finite-temperature Lanczos algorithm with an adapted version of the cluster perturbation theory. We show that the augmented diagonalization yields an improved accuracy in the description of the spectral function of the single-band Hubbard model and is a reliable approach for a full d-orbital manifold calculation.

Augmented hybrid exact-diagonalization solver for dynamical mean field theory

Amaricci A;Capone M;
2012

Abstract

We present a methodology to solve the Anderson impurity model in the context of dynamical mean field theory based on the exact-diagonalization method. We propose a strategy to effectively refine the exact-diagonalization solver by combining a finite-temperature Lanczos algorithm with an adapted version of the cluster perturbation theory. We show that the augmented diagonalization yields an improved accuracy in the description of the spectral function of the single-band Hubbard model and is a reliable approach for a full d-orbital manifold calculation.
2012
Istituto Officina dei Materiali - IOM -
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/235963
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