| Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions E Pastorczak, C Corminboeuf The Journal of Chemical Physics 146 (12), 2017 | 115 | 2017 |
| ERPA–APSG: a computationally efficient geminal-based method for accurate description of chemical systems E Pastorczak, K Pernal Physical Chemistry Chemical Physics 17 (14), 8622-8626, 2015 | 54 | 2015 |
| Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle E Pastorczak, NI Gidopoulos, K Pernal Physical Review A 87 (6), 062501, 2013 | 45 | 2013 |
| Correlation energy from the adiabatic connection formalism for complete active space wave functions E Pastorczak, K Pernal Journal of chemical theory and computation 14 (7), 3493-3503, 2018 | 42 | 2018 |
| Ensemble density variational methods with self- and ghost-interaction-corrected functionals E Pastorczak, K Pernal The Journal of Chemical Physics 140 (18), 18A514, 2014 | 35 | 2014 |
| Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction E Pastorczak, A Prlj, JF Gonthier, C Corminboeuf The Journal of chemical physics 143 (22), 2015 | 29 | 2015 |
| A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction K Chatterjee, E Pastorczak, K Jawulski, K Pernal The Journal of Chemical Physics 144 (24), 2016 | 26 | 2016 |
| Electronic excited states from the adiabatic-connection formalism with complete active space wave functions E Pastorczak, K Pernal The Journal of Physical Chemistry Letters 9 (18), 5534-5538, 2018 | 23 | 2018 |
| Capturing the dynamic correlation for arbitrary spin-symmetry CASSCF reference with adiabatic connection approaches: Insights into the electronic structure of the … E Pastorczak, M Hapka, L Veis, K Pernal The Journal of Physical Chemistry Letters 10 (16), 4668-4674, 2019 | 21 | 2019 |
| Exploring the ultrafast dynamics of a diarylethene derivative using sub-10 fs laser pulses A Jarota, E Pastorczak, W Tawfik, B Xue, R Kania, H Abramczyk, ... Physical Chemistry Chemical Physics 21 (1), 192-204, 2019 | 19 | 2019 |
| Intricacies of van der Waals interactions in systems with elongated bonds revealed by electron-groups embedding and high-level coupled-cluster approaches E Pastorczak, J Shen, M Hapka, P Piecuch, K Pernal Journal of chemical theory and computation 13 (11), 5404-5419, 2017 | 18 | 2017 |
| Long-range-corrected multiconfiguration density functional with the on-top pair density M Hapka, E Pastorczak, A Krzemińska, K Pernal The Journal of Chemical Physics 152 (9), 2020 | 16 | 2020 |
| Generalized valence bond perfect-pairing made versatile through electron-pairs embedding E Pastorczak, HJA Jensen, PH Kowalski, K Pernal Journal of Chemical Theory and Computation 15 (8), 4430-4439, 2019 | 13 | 2019 |
| A deeper look into the photocycloreversion of a yellow diarylethene photoswitch: why is it so fast? A Jarota, E Pastorczak, H Abramczyk Physical Chemistry Chemical Physics 22, 5408-5412, 2020 | 11 | 2020 |
| Molecular interactions in electron-groups embedding generalized valence bond picture E Pastorczak, K Pernal Theoretical Chemistry Accounts 137 (12), 172, 2018 | 9 | 2018 |
| Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum D Drwal, E Pastorczak, K Pernal The Journal of Chemical Physics 154 (16), 2021 | 8 | 2021 |
| Dispersion Interactions in Exciton-Localized States. Theory and Applications to π–π* and n− π* Excited States MR Jangrouei, A Krzemińska, M Hapka, E Pastorczak, K Pernal Journal of Chemical Theory and Computation 18 (6), 3497-3511, 2022 | 7 | 2022 |
| Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches K Pernal, NI Gidopoulos, E Pastorczak Advances in Quantum Chemistry 73, 199-229, 2016 | 7 | 2016 |
| A road to a multiconfigurational ensemble density functional theory without ghost interactions E Pastorczak, K Pernal International Journal of Quantum Chemistry 116, 880–889, 2016 | 6 | 2016 |
| Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis PH Kowalski, A Krzemińska, K Pernal, E Pastorczak The Journal of Physical Chemistry A 126 (7), 1312-1319, 2022 | 5 | 2022 |
Katarzyna PernalProfessor of Physics, Lodz University of Technology, PolandVerified email at p.lodz.pl
