Next-generation EDIpack: A Lanczos-based package for quantum impurity models featuring general broken-symmetry phases, flexible bath topologies and multi-platform interoperability
arXiv:2506.01363 · doi:10.21468/SciPostPhysCodeb.58
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.
79 pages, 8 figures, 7 examples. Published in SciPost Physics Codebases. Codebases repo at: 10.21468/SciPostPhysCodeb.58-r5.3
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