SciPost logo

Pyqcm: An open-source Python library for quantum cluster methods

Théo N. Dionne, Alexandre Foley, Moïse Rousseau, David Sénéchal

SciPost Phys. Codebases 23 (2023) · published 20 December 2023

This Publication is part of a bundle

When citing, cite all relevant items (e.g. for a Codebase, cite both the article and the release you used).


Pyqcm is a Python/C++ library that implements a few quantum cluster methods with an exact diagonalization impurity solver. Quantum cluster methods are used in the study of strongly correlated electrons to provide an approximate solution to Hubbard-like models. The methods covered by this library are Cluster Perturbation Theory (CPT), the Variational Cluster Approach (VCA) and Cellular (or Cluster) Dynamical Mean Field Theory (CDMFT). The impurity solver (the technique used to compute the cluster's interacting Green function) is exact diagonalization from sparse matrices, using the Lanczos algorithm and variants thereof. The core library is written in C++ for performance, but the interface is in Python, for ease of use and inter-operability with the numerical Python ecosystem. The library is distributed under the GPL license.

Cited by 3

Crossref Cited-by

Authors / Affiliation: mappings to Contributors and Organizations

See all Organizations.
Funder for the research work leading to this publication