Quasi-continuous-time impurity solver for the dynamical mean-field theory with linear scaling in the inverse temperature

D. Rost, F. Assaad, and N. Blümer
Phys. Rev. E 87, 053305 – Published 29 May 2013

Abstract

We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary Hamiltonian, for which the Green function is computed by combining determinantal quantum Monte Carlo (BSS-QMC) calculations with a multigrid extrapolation procedure. The method is numerically exact, i.e., yields results which are free of significant Trotter errors, but retains the BSS advantage, compared to direct QMC impurity solvers, of linear (instead of cubic) scaling with the inverse temperature. The new algorithm is applied to the half-filled Hubbard model close to the Mott transition; detailed comparisons with exact diagonalization, Hirsch-Fye QMC, and continuous-time QMC are provided.

  • Received 20 March 2013

DOI:https://doi.org/10.1103/PhysRevE.87.053305

©2013 American Physical Society

Authors & Affiliations

D. Rost1,2, F. Assaad3, and N. Blümer1

  • 1Institute of Physics, Johannes Gutenberg University, Mainz, Germany
  • 2Graduate School Materials Science in Mainz, Johannes Gutenberg University, Mainz, Germany
  • 3Institute of Theoretical Physics and Astrophysics, University of Würzburg, Würzburg, Germany

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Vol. 87, Iss. 5 — May 2013

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