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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.