Orbital entanglement and correlation from pCCD-tailored coupled cluster wave functions A Nowak, Ö Legeza, K Boguslawski The Journal of Chemical Physics 154 (8), 2021 | 30 | 2021 |
Geminate electron-hole recombination in organic photovoltaic cells. A semi-empirical theory M Wojcik, A Nowak, K Seki The Journal of Chemical Physics 146 (5), 2017 | 30 | 2017 |
Assessing the accuracy of simplified coupled cluster methods for electronic excited states in f0 actinide compounds A Nowak, P Tecmer, K Boguslawski Physical Chemistry Chemical Physics 21 (35), 19039-19053, 2019 | 29 | 2019 |
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 | 27 | 2021 |
A configuration interaction correction on top of pair coupled cluster doubles A Nowak, K Boguslawski Physical Chemistry Chemical Physics 25 (10), 7289-7301, 2023 | 12 | 2023 |
PyBEST: Improved functionality and enhanced performance K Boguslawski, F Brzęk, R Chakraborty, K Cieślak, S Jahani, A Leszczyk, ... Computer Physics Communications 297, 109049, 2024 | 9 | 2024 |
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation R Chakraborty, MMF de Moraes, K Boguslawski, A Nowak, J Świerczyński, ... Journal of Chemical Theory and Computation, 2024 | 1 | 2024 |