2. Citing PyBEST

Please, refer to PyBEST as follows:

Saman Behjou, Filip Brzęk, Rahul Chakraborty, Kacper Cieślak, Antonina Dobrowolska, Seyedehdelaram Jahani, Zahra Karimi, Michał Kopczyński, Aleksandra Leszczyk, Artur Nowak, Lena Szczuczko, Emil Sujkowski, Julian Świerczyński, Somayeh Ahmadkhani, Katharina Boguslawski, Dariusz Kędziera, Maximilian Kriebel, Paweł Tecmer, Piotr Żuchowski, PyBEST 2.0.0, 2024

If you use PyBEST, please cite the following:

Katharina Boguslawski, Filip Brzęk, Rahul Chakraborty, Kacper Cieślak, Seyedehdelaram Jahani, Aleksandra Leszczyk, Artur Nowak, Emil Sujkowski, Julian Świerczyński, Somayeh Ahmadkhani, Dariusz Kędziera, Maximilian H. Kriebel, Piotr Szymon Żuchowski, Paweł Tecmer, “PyBEST: Improved functionality and enhanced performance”, Computer Physics Communications, 297, 2024, https://doi.org/10.1016/j.cpc.2023.109049.

Katharina Boguslawski, Aleksandra Leszczyk, Artur Nowak, Filip Brzęk, Piotr Szymon Żuchowski, Dariusz Kędziera, Paweł Tecmer, “Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics”, Computer Physics Communications, 264, 2021, https://doi.org/10.1016/j.cpc.2021.107933.