Smooth self-energy in the exact-diagonalization-based dynamical mean-field theory: Intermediate-representation filtering approach

Abstract

We propose a method for estimating smooth real-frequency self-energy in the dynamical mean-field theory with the finite-temperature exact diagonalization (DMFT-ED). One of the benefits of DMFT-ED calculations is that one can obtain real-frequency spectra without a numerical analytic continuation. However, these spectra are spiky and strongly depend on the way to discretize a continuous bath (e.g., the number of the bath sites). The present scheme is based on a recently proposed compact representation of imaginary-time Green's functions, the intermediate representation (IR). The projection onto the IR basis acts as a noise filter for the discretization errors in the self-energy. This enables to extract the physically relevant part from the noisy self-energy. We demonstrate the method for single-site DMFT calculations of the single-band Hubbard model. We also show the results can be further improved by numerical analytic continuation.

6 pages, 5 figures. The main text and figures are revised

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