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Orthogonal polynomial representation of imaginary-time Green’s functions

Lewin Boehnke, Hartmut Hafermann, Michel Ferrero, Frank Lechermann, and Olivier Parcollet
Phys. Rev. B 84, 075145 – Published 12 August 2011

Abstract

We study the expansion of single-particle and two-particle imaginary-time Matsubara Green’s functions of quantum impurity models in the basis of Legendre orthogonal polynomials. We discuss various applications within the dynamical mean-field theory (DMFT) framework. The method provides a more compact representation of the Green’s functions than standard Matsubara frequencies, and therefore significantly reduces the memory-storage size of these quantities. Moreover, it can be used as an efficient noise filter for various physical quantities within the continuous-time quantum Monte Carlo impurity solvers recently developed for DMFT and its extensions. In particular, we show how to use it for the computation of energies in the context of realistic DMFT calculations in combination with the local density approximation to the density functional theory (LDA+DMFT) and for the calculation of lattice susceptibilities from the local irreducible vertex function.

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  • Received 16 April 2011

DOI:https://doi.org/10.1103/PhysRevB.84.075145

©2011 American Physical Society

Authors & Affiliations

Lewin Boehnke1, Hartmut Hafermann2, Michel Ferrero2, Frank Lechermann1, and Olivier Parcollet3

  • 1I. Institut für Theoretische Physik, Universität Hamburg, D-20355 Hamburg, Germany
  • 2Centre de Physique Théorique, Ecole Polytechnique, CNRS, F-91128 Palaiseau Cedex, France
  • 3Institut de Physique Théorique (IPhT), CEA, CNRS, URA 2306, F-91191 Gif-sur-Yvette, France

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Issue

Vol. 84, Iss. 7 — 15 August 2011

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