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Inclusion-exclusion principle for many-body diagrammatics

Aviel Boag, Emanuel Gull, and Guy Cohen
Phys. Rev. B 98, 115152 – Published 26 September 2018

Abstract

Recent successes in Monte Carlo methods for simulating fermionic quantum impurity models have been based on diagrammatic resummation techniques, but they are restricted by the need to sum over factorially large classes of diagrams individually. We present a fast algorithm for summing over the diagrams appearing in Inchworm hybridization expansions. The method relies on the inclusion-exclusion principle to reduce the scaling from factorial to exponential. We analyze the growth rate and compare with related algorithms for expansions in the many-body interaction. An implementation demonstrates that for a simulation of a concrete physical model at reasonable parameters and accuracy within the Inchworm hybridization expansion, our algorithm not only scales better asymptotically, but also provides performance gains of approximately two orders of magnitude in practice over the previous state of the art.

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  • Received 1 July 2018
  • Revised 10 September 2018

DOI:https://doi.org/10.1103/PhysRevB.98.115152

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Aviel Boag1, Emanuel Gull2, and Guy Cohen1,3

  • 1School of Chemistry, Tel Aviv University, Tel Aviv 6997801, Israel
  • 2Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, USA
  • 3The Raymond and Beverley Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel

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Issue

Vol. 98, Iss. 11 — 15 September 2018

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