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sparse-ir: optimal compression and sparse sampling of many-body propagators

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arxiv 2206.11762 v1 pith:A75CW3T3 submitted 2022-06-23 physics.comp-ph cond-mat.str-el

sparse-ir: optimal compression and sparse sampling of many-body propagators

classification physics.comp-ph cond-mat.str-el
keywords many-bodysamplingsparsecompressionimaginarylibrariesoptimalpropagator
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We introduce sparse-ir, a collection of libraries to efficiently handle imaginary-time propagators, a central object in finite-temperature quantum many-body calculations. We leverage two concepts: firstly, the intermediate representation (IR), an optimal compression of the propagator with robust a-priori error estimates, and secondly, sparse sampling, near-optimal grids in imaginary time and imaginary frequency from which the propagator can be reconstructed and on which diagrammatic equations can be solved. IR and sparse sampling are packaged into stand-alone, easy-to-use Python, Julia and Fortran libraries, which can readily be included into existing software. We also include an extensive set of sample codes showcasing the library for typical many-body and ab initio methods.

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  1. Pseudogap, Fermi liquid, Van Hove singularity and maxima of the compressibility and of the Knight shift as a function of doping in the two-dimensional Hubbard model

    cond-mat.str-el 2026-02 conditional novelty 5.0

    TPSC+ calculations show that the doping at which the antinodal spin-density-wave precursor crosses zero energy coincides with the maximum of the compressibility and of the Knight shift in the 2D Hubbard model.