Efficient Bethe-Salpeter equation treatment in dynamical mean-field theory

Agnese Tagliavini, Stefan Hummel, Nils Wentzell, Sabine Andergassen, Alessandro Toschi, and Georg Rohringer
Phys. Rev. B 97, 235140 – Published 22 June 2018

Abstract

We present here two alternative schemes designed to correct the high-frequency truncation errors in the numerical treatment of the Bethe-Salpeter equations. The schemes are applicable to all Bethe-Salpeter calculations with a local two-particle irreducible vertex, which is relevant, e.g., for the dynamical mean-field theory (DMFT) and its diagrammatic extensions. In particular, within a purely diagrammatic framework, we could extend existing algorithms for treating the static case in the particle-hole sector to more general procedures applicable to all bosonic frequencies and all channels. After illustrating the derivation and the theoretical interrelation of the two proposed schemes, these have been applied to the Bethe-Salpeter equations for the auxiliary Anderson impurity models of selected DMFT calculations, where results can be compared against a numerically “exact” solution. The successful performance of the proposed schemes suggests that their implementation can significantly improve the accuracy of DMFT calculations at the two-particle level, in particular for more realistic multiorbital calculations where the large number of degrees of freedom substantially restricts the actual frequency range for numerical calculations, as well as—on a broader perspective—of the diagrammatic extensions of DMFT.

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  • Received 9 March 2018
  • Revised 1 June 2018

DOI:https://doi.org/10.1103/PhysRevB.97.235140

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Agnese Tagliavini1,2, Stefan Hummel3, Nils Wentzell1,4, Sabine Andergassen2, Alessandro Toschi1, and Georg Rohringer5

  • 1Institute for Solid State Physics, Technische Universität Wien, 1040 Vienna, Austria
  • 2Institut für Theoretische Physik and Center for Quantum Science, Universität Tübingen, Auf der Morgenstelle 14, 72076 Tübingen, Germany
  • 3Physics of Nanostructured Materials, Faculty of Physics, University of Vienna, 1090 Vienna, Austria
  • 4Institut de Physique Théorique (IPhT), CEA, CNRS, 91191 Gif-sur-Yvette, France
  • 5Russian Quantum Center, 143025 Skolkovo, Russia

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Issue

Vol. 97, Iss. 23 — 15 June 2018

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