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 , 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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S97: MATHEMATICAL METHODS AND COMPUTING;
- Descriptors DEI
- BENCHMARKS; BETHE-SALPETER EQUATION; BOSONS; CONVERGENCE; CORRELATION FUNCTIONS; DECOMPOSITION; DUALITY; ELECTRON CORRELATION; IMPURITIES; MAGNETIC SUSCEPTIBILITY; MATHEMATICAL SOLUTIONS; MATRICES; MEAN-FIELD THEORY; METALS; SPIN; STRONTIUM COMPOUNDS
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; ANGULAR MOMENTUM; CHEMICAL REACTIONS; CORRELATIONS; ELEMENTS; EQUATIONS; FUNCTIONS; MAGNETIC PROPERTIES; PARTICLE PROPERTIES; PHYSICAL PROPERTIES
Optional Information
- Contract/Grant/Project number
- 2022-03090; 2022-06725; 2018-05973; 854843-FASTCORR
- Notes
- Record automatically processed
- Funding organization
- Vetenskapsrådet; European Research Council