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      EDIpack: A parallel exact diagonalization package for quantum impurity problems

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          Abstract

          We present EDIpack, an exact diagonalization package to solve generic quantum impurity problems. The algorithm, based on a generalization of the look-up method introduced by Lin and Gubernatis, enables a massively parallel execution of the matrix-vector linear operations required by Lanczos and Arnoldi algorithms. We show that a suitable Fock basis organization is crucial to optimize the inter-processors communication in distributed memory setup and, thus, to reach sub-linear scaling in sufficiently large systems. We discuss the algorithm in details, indicating how to deal with multiple-orbitals and electron-phonon coupling. Finally, we detail the download, installation and functioning of this package.

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          Author and article information

          Journal
          13 May 2021
          Article
          2105.06806
          89d505b8-e20f-4d0b-b18d-d253e0bdc74c

          http://arxiv.org/licenses/nonexclusive-distrib/1.0/

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          Custom metadata
          33 pages, 6 figures
          physics.comp-ph cond-mat.str-el

          Condensed matter,Mathematical & Computational physics
          Condensed matter, Mathematical & Computational physics

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