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Distributional exact diagonalization formalism for quantum impurity models

Journal article
Authors Mats Granath
Hugo Strand
Published in Physical Review B
Volume 86
Issue 11
Pages artikel nr 115111
ISSN 1098-0121
Publication year 2012
Published at Department of Physics (GU)
Pages artikel nr 115111
Language en
Subject categories Physical Sciences, Condensed Matter Physics


We develop a method for calculating the self-energy of a quantum impurity coupled to a continuous bath by stochastically generating a distribution of finite Anderson models that are solved by exact diagonalization, using the noninteracting local spectral function as a probability distribution for the sampling. The method enables calculation of the full analytic self-energy and single-particle Green's function in the complex frequency plane, without analytic continuation, and can be used for both finite and zero temperature at arbitrary fillings. Results are in good agreement with imaginary frequency data from continuous-time quantum Monte Carlo calculations for the single-impurity Anderson model and the two-orbital Hubbard model within dynamical mean-field theory (DMFT) as well as real frequency data for self-energy of the single-band Hubbard model within DMFT using the numerical renormalization group. The method should be applicable to a wide range of quantum impurity models and particularly useful when high-precision real frequency results are sought.

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