Distributional exact diagonalization formalism for quantum impurity models

Details Distributional exact diagonalization formalism for quantum impurity models Distributional exact diagonalization formalism for quantum impurity models

2012-01-30

arxiv.org/abs/1201.6160v2

Physics

Condensed Matter

Strongly Correlated Electrons

Calculation added for the two band Hubbard model in the orbital selective Mott phase, 4 pages, 4 figures

Scientific paper

We develop a method for calculating the self energy of a quantum impurity model coupled to a continuous bath, by stochastically generating a distribution of finite Anderson models that are solved by exact diagonalization. Instead of the fitting procedure used in the standard exact diagonalization routines the non-interacting local spectral function is used 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 very good agreement with imaginary frequency data from continuous-time quantum Monte Carlo calculations for the single impurity Anderson model as well as real frequency data from dynamical mean field theory solutions of the paramagnetic Hubbard model using numerical renormalization group. We also present results for the two band Hubbard model in the orbital selective Mott phase. 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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