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arXiv · 2506.01363

Next-generation EDIpack: A Lanczos-based package for quantum impurity models featuring general broken-symmetry phases, flexible bath topologies and multi-platform interoperability

Lorenzo Crippa·Igor Krivenko·Samuele Giuli·Gabriele Bellomia·Alexander Kowalski·Francesco Petocchi·Alberto Scazzola·Markus Wallerberger·Giacomo Mazza·Luca de Medici·Giorgio Sangiovanni·Massimo Capone·Adriano Amaricci
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Abstract

We present a next-generation version of EDIpack, a flexible, high-performance numerical library using Lanczos-based exact diagonalization to solve generic quantum impurity problems, such as those introduced in Dynamical Mean-Field Theory to describe extended strongly correlated materials. This new release efficiently solves impurity problems allowing for different broken-symmetry solutions, including superconductivity, featuring local spin-orbit coupling and/or electron-phonon coupling. It provides quick access to dynamical correlation functions on the entire complex frequency plane at zero and low-temperatures. The modular architecture of the software not only provides Fortran APIs but also includes bindings to C/C++, interfaces with Python and Julia or with TRIQS and w2dynamics research platforms, thus ensuring unprecedented level of inter-operability. The outlook includes further extensions to study quantum materials and cold atoms quantum simulators, as well as quantum information applications.

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Lorenzo Crippa, Igor Krivenko, Samuele Giuli, Gabriele Bellomia, Alexander Kowalski, Francesco Petocchi, Alberto Scazzola, Markus Wallerberger, Giacomo Mazza, Luca de Medici, Giorgio Sangiovanni, Massimo Capone, Adriano Amaricci. 2025-06-02. Next-generation EDIpack: A Lanczos-based package for quantum impurity models featuring general broken-symmetry phases, flexible bath topologies and multi-platform interoperability. https://doi.org/10.21468/scipostphyscodeb.58

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