sparse-ir: Optimal compression and sparse sampling of many-body propagators
Markus Wallerberger,
Samuel Badr,
Shintaro Hoshino,
Sebastian Huber,
Fumiya Kakizawa,
Takashi Koretsune,
Yuki Nagai,
Kosuke Nogaki,
Takuya Nomoto,
Hitoshi Mori,
Junya Otsuki,
Soshun Ozaki,
Thomas Plaikner,
Rihito Sakurai,
Constanze Vogel,
Niklas Witt,
Kazuyoshi Yoshimi,
Hiroshi Shinaoka
Affiliations
Markus Wallerberger
Department of Solid State Physics, TU Wien, 1040 Vienna, Austria; Corresponding author.
Samuel Badr
Department of Solid State Physics, TU Wien, 1040 Vienna, Austria
Shintaro Hoshino
Department of Physics, Saitama University, Saitama 338-8570, Japan
Sebastian Huber
Department of Solid State Physics, TU Wien, 1040 Vienna, Austria
Fumiya Kakizawa
Department of Physics, Saitama University, Saitama 338-8570, Japan
Takashi Koretsune
Department of Physics, Tohōku University, Miyagi 980-8577, Japan
Yuki Nagai
CCSE, Japan Atomic Energy Agency, Kashiwa, Chiba 277-0871, Japan; Mathematical Science Team, RIKEN Center for Advanced Intelligence Project (AIP), Tokyo 103-0027, Japan
Kosuke Nogaki
Department of Physics, Kyoto University, Kyoto 606-8502, Japan
Takuya Nomoto
Research Center for Advanced Science and Technology, University of Tokyo, 4-6-1 Meguro-ku, Tokyo, 153-8904, Japan
Hitoshi Mori
RIKEN Center for Emergent Matter Science (RIKEN CEMS), 2-1 Hirosawa, Wako, Saitama 351-0198, Japan
Junya Otsuki
Institute for Interdisciplinary Science, Okayama University, Okayama 700-8530, Japan
Soshun Ozaki
Department of Physics, University of Tokyo, Bunkyo, Tokyo 113-0033, Japan
Thomas Plaikner
Department of Solid State Physics, TU Wien, 1040 Vienna, Austria
Rihito Sakurai
Department of Physics, Saitama University, Saitama 338-8570, Japan
Constanze Vogel
Department of Solid State Physics, TU Wien, 1040 Vienna, Austria
Niklas Witt
I. Institute of Theoretical Physics, University of Hamburg, 22607 Hamburg, Germany
Kazuyoshi Yoshimi
Institute for Solid State Physics, University of Tokyo, Tokyo 113-8654, Japan
Hiroshi Shinaoka
Department of Physics, Saitama University, Saitama 338-8570, Japan; JST, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan
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.
