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Automated evaluation of imaginary time strong coupling diagrams by sum-of-exponentials hybridization fitting
Department of Mathematics, University of California, Berkeley CA, USA; Center for Computational Quantum Physics, Flatiron Institute, New York NY, USA.
Jožef Stefan Institute, Ljubljana, Slovenia; Faculty of Mathematics and Physics, University of Ljubljana, Ljubljana, Slovenia.
Örebro University, School of Science and Technology.ORCID iD: 0000-0002-7263-4403
Center for Computational Quantum Physics, Flatiron Institute, New York NY, USA; Center for Computational Mathematics, Flatiron Institute, New York NY, USA.
2025 (English)In: SciPost Physics, E-ISSN 2542-4653, Vol. 19, no 5, article id 121Article in journal (Refereed) Published
Abstract [en]

We present an efficient separation of variables algorithm for the evaluation of imaginary time Feynman diagrams appearing in the bold pseudo-particle strong coupling expansion of the Anderson impurity model. The algorithm uses a fitting method based on AAA rational approximation and numerical optimization to obtain a sum-of-exponentials expansion of the hybridization function, which is then used to decompose the diagrams. A diagrammatic formulation of the algorithm leads to an automated procedure for diagrams of arbitrary order and topology. We also present methods of stabilizing the self-consistent solution of the pseudo-particle Dyson equation. The result is a low-cost and high-order accurate impurity solver for quantum embedding methods using general multi-orbital hybridization functions at low temperatures, appropriate for low-tointermediate expansion orders. In addition to other benchmark examples, we use our solver to perform a dynamical mean-field theory study of a minimal model of the strongly correlated compound Ca2RuO4, describing the anti-ferromagnetic transition and the inand out-of-plane anisotropy induced by spin-orbit coupling.

Place, publisher, year, edition, pages
SciPost Foundation , 2025. Vol. 19, no 5, article id 121
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:oru:diva-125208DOI: 10.21468/SciPostPhys.19.5.121ISI: 001612538500003OAI: oai:DiVA.org:oru-125208DiVA, id: diva2:2016310
Available from: 2025-11-25 Created: 2025-11-25 Last updated: 2025-11-25Bibliographically approved

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Strand, Hugo U. R.

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