TY  - JOUR
PB  - SciPost Foundation
DO  - 10.21468/SciPostPhysCodeb.23
TI  - Pyqcm: An open-source Python library for quantum cluster methods
PY  - 2023/12/20
UR  - https://scipost.org/SciPostPhysCodeb.23
JF  - SciPost Physics Codebases
JA  - SciPost Phys. Codebases
SP  - 23
A1  - Dionne, Théo N.
AU  - Foley, Alexandre
AU  - Rousseau, Moïse
AU  - Sénéchal, David
AB  - 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.
ER  -

@Article{10.21468/SciPostPhysCodeb.23,
	title={{Pyqcm: An open-source Python library for quantum cluster methods}},
	author={Théo N. Dionne and Alexandre Foley and Moïse Rousseau and David Sénéchal},
	journal={SciPost Phys. Codebases},
	pages={23},
	year={2023},
	publisher={SciPost},
	doi={10.21468/SciPostPhysCodeb.23},
	url={https://scipost.org/10.21468/SciPostPhysCodeb.23},
}

@Article{10.21468/SciPostPhysCodeb.23-r2.2,
	title={{Codebase release 2.2 for Pyqcm}},
	author={Théo N. Dionne and Alexandre Foley and Moïse Rousseau and David Sénéchal},
	journal={SciPost Phys. Codebases},
	pages={23-r2.2},
	year={2023},
	publisher={SciPost},
	doi={10.21468/SciPostPhysCodeb.23-r2.2},
	url={https://scipost.org/10.21468/SciPostPhysCodeb.23-r2.2},
}