Published April 23, 2024 | Version v1
Journal article Open

Dual Bethe-Salpeter equation for the multiorbital lattice susceptibility within dynamical mean-field theory

  • 1. NanoLund and Division of Mathematical Physics, Department of Physics, Lund University, Lund, Sweden
  • 2. School of Science and Technology, Örebro University, SE-701 82 Örebro, Sweden and Institute for Molecules and Materials, Radboud University, 6525 AJ Nijmegen, the Netherlands

Description

Dynamical mean-field theory describes the impact of strong local correlation effects in many-electron systems. While the single-particle spectral function is directly obtained within the formalism, two-particle susceptibilities can also be obtained by solving the Bethe-Salpeter equation. The solution requires handling infinite matrices in Matsubara frequency space. This is commonly treated using a finite frequency cutoff, resulting in slow linear convergence. A decomposition of the two-particle response in local and nonlocal contributions enables a reformulation of the Bethe-Salpeter equation inspired by the dual boson formalism. The reformulation has a drastically improved cubic convergence with respect to the frequency cutoff, considerably facilitating the calculation of susceptibilities in multi-orbital systems. This improved convergence arises from the fact that local contributions can be measured in the impurity solver. The dual Bethe-Salpeter equation uses the fully reducible vertex which is free from vertex divergences. We benchmark the approach on several systems including the spin susceptibility of strontium ruthenate Sr2RuO4, a strongly correlated Hund's metal with three active orbitals.

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10.1103_PhysRevB.109.155157.pdf

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Additional details

Identifiers

DOI
10.1103/PhysRevB.109.155157;
arXiv
arXiv:2306.05157;
Crossref Funder ID
10.13039/501100004359; 10.13039/501100000781;

Publishing Information

Journal Title
Physical Review B
Journal Volume
109
Journal Issue
15
Journal Page Range
15 pgs.
ISSN
1550-235X

Optional Information

Contract/Grant/Project number
2022-03090; 2022-06725; 2018-05973; 854843-FASTCORR
Notes
Record automatically processed
Funding organization
Vetenskapsrådet; European Research Council