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EDIpack: A parallel exact diagonalization package for quantum impurity problems
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DOI：10.1016/j.cpc.2021.108261.png)
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Abstract
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Y We present EDIpack, an exact diagonalization package to solve generic quantum impurity problems. The algorithm includes a generalization of the look-up method introduced in Ref.[1] and 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 a distributed memory setup and 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 outline the download, installation and functioning of the package. (C) 2021 Elsevier B.V. All rights reserved.
Keywords:
Exact diagonalization
Quantum impurity models
Strongly correlated electrons
Dynamical mean-field theory
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