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Filip Brzęk
Filip Brzęk
Insitute of Physics, NCU, Toruń
Dirección de correo verificada de fizyka.umk.pl
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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
212021
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
172019
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
62021
PyBEST: Improved functionality and enhanced performance
K Boguslawski, F Brzęk, R Chakraborty, K Cieślak, S Jahani, A Leszczyk, ...
Computer Physics Communications 297, 109049, 2024
32024
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
32022
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
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