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Next-generation EDIpack: A Lanczos-based package for quantum impurity models featuring general broken-symmetry phases, flexible bath topologies and multi-platform interoperability
by 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 and Adriano Amaricci
Submission summary
| Authors (as registered SciPost users): | Adriano Amaricci · Gabriele Bellomia · Lorenzo Crippa · Samuele Giuli · Alexander Kowalski · Igor Krivenko · Giacomo Mazza |
| Submission information | |
|---|---|
| Preprint Link: | scipost_202506_00023v2 (pdf) |
| Code repository: | https://github.com/EDIpack/EDIpack |
| Code version: | v5.3.4 |
| Code license: | LGPL |
| Date accepted: | Aug. 4, 2025 |
| Date submitted: | July 19, 2025, 1:38 p.m. |
| Submitted by: | Adriano Amaricci |
| Submitted to: | SciPost Physics Codebases |
| Ontological classification | |
|---|---|
| Academic field: | Physics |
| Specialties: |
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| Approaches: | Theoretical, Computational |
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.
Author comments upon resubmission
We would like to thank you for considering our manuscript
“A flexible and interoperable high-performance Lanczos-based solver for generic quantum impurity problems: upgrading EDIpack” (SciPost submission ID: scipost_202506_00023v1), which we hereby resubmit for publication.
We are grateful to both referees for their insightful and constructive reviews, as well as for recognizing the value of our work. Both referees considered the manuscript worthy of publication and recommended it accordingly. In particular, Referee A described the paper as “well written and highly detailed”, highlighting that it “makes a valuable contribution to the community”. Likewise, Referee B emphasized that “providing robust and well-tested computer codes, as well as high quality documentation, are a big service to the community” and “wholeheartedly recommend[ed] this work for publication”. We deeply appreciate these encouraging evaluations and believe the feedback we received has helped us significantly improve the manuscript.
In our responses, enclosed with this resubmission, we have carefully addressed all comments and suggestions raised by the referees and the anonymous commenter. The manuscript has been revised accordingly. In particular, following the editor’s recommendation, we have updated the title to more clearly reflect the progress and novelty introduced in this version of EDIpack, without requiring reference to earlier works.
We are pleased to resubmit the revised version of our manuscript for your consideration, and we hope it now meets the criteria for publication in SciPost Physics Codebases.
Best regards,
Adriano Amaricci,
On behalf of all authors
List of changes
- Revised the title to more clearly reflect the novelty and improvements introduced in this version of the library.
- Added references to DMFT results in the introduction.
- Clarified the nature of the indices ${i,j,k,l}$ in the general interaction term.
- Specified upper and lower bounds in Eq.~(14); the same clarification was propagated to all equations involving traces over Hamiltonian states.
- Corrected the definition of bosonic creation and annihilation operators.
- Added reference to the broadening parameters in the examples.
- Introduced distinct notation to differentiate the exact partition function $Z$ from its truncated approximation $\tilde{Z}$.
- Added details explaining subtle issues related to off-diagonal bath optimization.
- Clarified the role of the integer parameters
istart, iend, ishiftused in parallel matrix construction. Removed misleading terminology and references to parallelism in the Julia interface. - Clarified the role of phonons' shift term $A_m$.
- Improved the explanation of the symmetry sector indexing map.
- Corrected various typographical errors throughout the manuscript.
Published as SciPost Phys. Codebases 58 (2025) , SciPost Phys. Codebases 58-r5.3 (2025)