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  • Editors' Suggestion
  • Letter
  • Open Access

Inchworm quasi Monte Carlo for quantum impurities

Hugo U. R. Strand1,2,*, Joseph Kleinhenz3, and Igor Krivenko4

  • *Contact author: hugo.strand@oru.se
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Phys. Rev. B 110, L121120 – Published 24 September, 2024

DOI: https://doi.org/10.1103/PhysRevB.110.L121120

Abstract

The inchworm expansion is a promising approach to solving strongly correlated quantum impurity models due to its reduction of the sign problem in real and imaginary time. However, inchworm Monte Carlo is computationally expensive, converging as 1/N where N is the number of samples. We show that the imaginary-time integration is amenable to quasi Monte Carlo, with parametrically better 1/N convergence, by mapping the Sobol low-discrepancy sequence from the hypercube to the simplex with the so-called Root transform. This extends the applicability of the inchworm method to, e.g., multiorbital Anderson impurity models with off-diagonal hybridization, relevant for materials simulation, where continuous-time hybridization expansion Monte Carlo has a severe sign problem.

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Phys. Rev. B 110, L121120– Published 24 September, 2024
  • Received 27 October 2023
  • Revised 31 May 2024
  • Accepted 3 September 2024
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Funded by Bibsam.

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