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 / Weber, C.; Amaricci, A.; Capone, M.; Littlewood, P. B.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 86:11(2012), pp. 1-5. [10.1103/PhysRevB.86.115136]

Augmented hybrid exact-diagonalization solver for dynamical mean field theory

Amaricci, A.;Capone, M.;
2012-01-01

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
86
11
1
5
115136
https://arxiv.org/abs/1207.5610
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.86.115136
Weber, C.; Amaricci, A.; Capone, M.; Littlewood, P. B.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/32737
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