Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics K Boguslawski, A Leszczyk, A Nowak, F Brzęk, PS Żuchowski, D Kędziera, ... Computer Physics Communications 264, 107933, 2021 | 24 | 2021 |
Benchmarking the accuracy of seniority-zero wave function methods for noncovalent interactions F Brzek, K Boguslawski, P Tecmer, PS Żuchowski Journal of chemical theory and computation 15 (7), 4021-4035, 2019 | 22 | 2019 |
Dataset of noncovalent intermolecular interaction energy curves for 24 small high-spin open-shell dimers K Madajczyk, PS Żuchowski, F Brzȩk, Ł Rajchel, D Kȩdziera, ... The Journal of Chemical Physics 154 (13), 2021 | 8 | 2021 |
PyBEST: Improved functionality and enhanced performance K Boguslawski, F Brzęk, R Chakraborty, K Cieślak, S Jahani, A Leszczyk, ... Computer Physics Communications 297, 109049, 2024 | 6 | 2024 |
Theoretical study of the CO 2–O 2 van der Waals complex: potential energy surface and applications Y Ajili, E Quintas-Sánchez, B Mehnen, PS Żuchowski, F Brzęk, N El-Kork, ... Physical Chemistry Chemical Physics 24 (47), 28984-28993, 2022 | 5 | 2022 |
Second quantization-based symmetry-adapted perturbation theory: Generalizing exchange beyond single electron pair approximation B Tyrcha, F Brzęk, PS Żuchowski The Journal of Chemical Physics 160 (4), 2024 | | 2024 |