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Qupled is a python package that can be used to compute the properties of quantum plasmas via the dielectric formalism. The plasma properties can be computed to arbitrary precision by leveraging on a simple Python interface combined with the speed of C++
Qupled can be compiled with cmake, tested with pytest and installed with the following procedure
git clone git@github.com:fedluc/qupled.git
cd qupled
mkdir build
cd build
cmake -DCMAKE_BUILD_TYPE=Release ..
cmake --build .
pytest tests
cmake --install .After installation Qupled can be used as a regular Python package
import qupled.classic as qpc
import qupled.quantum as qpq
# Solve the stls dielectric scheme for coupling = 10 and degeneracy 1.0
qpc.Stls(10.0, 1.0).compute()
# Solve the qstls dielectric scheme for coupling = 5 and degeneracy 2.0
qpq.Qstls(5.0, 2.0).compute()More detailed information on the package together with a list of examples is available in the documentation
Qupled has been used in the following publications:
@article{tolias2021integral,
title={Integral equation theory based dielectric scheme for strongly coupled electron liquids},
author={Tolias, Panagiotis and Lucco Castello, F and Dornheim, Tobias},
journal={The Journal of Chemical Physics},
volume={155},
number={13},
year={2021},
publisher={AIP Publishing}
}
@article{tolias2023quantum,
title={Quantum version of the integral equation theory-based dielectric scheme for strongly coupled electron liquids},
author={Tolias, Panagiotis and Lucco Castello, Federico and Dornheim, Tobias},
journal={The Journal of Chemical Physics},
volume={158},
number={14},
year={2023},
publisher={AIP Publishing}
}
@article{PhysRevB.109.125134,
title = {Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid},
author = {Tolias, Panagiotis and Lucco Castello, Federico and Kalkavouras, Fotios and Dornheim, Tobias},
journal = {Phys. Rev. B},
volume = {109},
issue = {12},
pages = {125134},
numpages = {22},
year = {2024},
month = {Mar},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.109.125134},
url = {https://link.aps.org/doi/10.1103/PhysRevB.109.125134}
}