| Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions E Pastorczak, C Corminboeuf The Journal of chemical physics 146 (12), 120901, 2017 | 59 | 2017 |
| 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 | 42 | 2013 |
| 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 | 34 | 2015 |
| Ensemble density variational methods with self- and ghost-interaction-corrected functionals E Pastorczak, K Pernal The Journal of Chemical Physics 140 (18), 18A514, 2014 | 26 | 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), 224107, 2015 | 21 | 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), 244111, 2016 | 18 | 2016 |
| 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 | 16 | 2018 |
| 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 | 10 | 2017 |
| 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 | 9 | 2018 |
| 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 | 8 | 2016 |
| 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), 094102, 2020 | 6 | 2020 |
| 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 | 6 | 2019 |
| 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 | 5 | 2016 |
| 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 | 3 | 2019 |
| 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 | 3 | 2019 |
| Molecular interactions in electron-groups embedding generalized valence bond picture E Pastorczak, K Pernal Theoretical Chemistry Accounts 137 (12), 1-10, 2018 | 3 | 2018 |
| 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 | 1 | 2020 |
| rsc. li/pccp A Jarota, E Pastorczak, H Abramczyk, J Kaub, J Kler, SC Parker, ... Phys. Chem. Chem. Phys 22, 5389-5407, 2020 | | 2020 |
| Development of Computational Methods for Electronic Structure of Molecules Employing Range-separated Electron Density Functionals Ans Based on the Ensemble Variational Principle E Pastorczak | | 2014 |
| Multiconfigurational ensemble DFT for excited states E Pastorczak, K Pernal Density-based embedding for multiscale simulations, 2014 | | 2014 |
Katarzyna PernalProfessor of Physics, Lodz University of Technology, PolandVerified email at p.lodz.pl
