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  • M. Matoušek, K. Pernal, F. Pavošević, L. Veis, Variational Quantum Eigensolver Boosted by Adiabatic Connection, J. Phys. Chem. A 128(3), 687-698, 2024
  • R. Zuzak, M. Kumar, O. Stoica, D. Soler‐Polo, J. Brabec, K. Pernal, L. Veis, R. Blieck, A. M. Echavarren, P. Jelínek, S. Godlewski, On‐Surface Synthesis and Determination of the Open‐Shell Singlet Ground State of Tridecacene, Angew. Chem. Int. Ed., 2024
  • D. Drwal, M. Matoušek, P. Golub, A. Tucholska, M. Hapka, J. Brabec, L. Veis, K. Pernal, Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives, J. Chem. Theory Comput., 2023
  • M. Hapka, A. Krzemińska-Kowalska, M. Modrzejewski, M. Przybytek, K. Pernal, Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions, J. Phys. Chem. Lett., 6895-6903, 2023
  • K. Pernal, Ł. Kołodziejczyk, R. J. J. Riobóo, J. Prywer, Experimental–computational approach to investigate elastic properties of struvite, J. Chem. Phys. 158(24), 244501, 2023
  • E. Posenitskiy, V. G. Chilkuri, A. Ammar, M. Hapka, K. Pernal, R. Shinde, E. J. L. Borda, C. Filippi, K. Nakano, O. Kohulák, S. Sorella, P. de O. Castro, W. Jalby, P. L. Ríos, A. Alavi, A. Scemama, TREXIO: A file format and library for quantum chemistry, J. Chem. Phys. 158(17), 174801, 2023
  • M. Matoušek, M. Hapka, L. Veis, K. Pernal, Toward more accurate adiabatic connection approach for multireference wavefunctions, J. Chem. Phys. 158(5), 054105, 2023
  • P. Beran, K. Pernal, F. Pavošević, L. Veis, Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding, J. Phys. Chem. Lett. 14(3), 716-722, 2023
  • O. Gritsenko, M. R. Jangrouei, K. Pernal, Generalized exciton with a noninteger particle and hole charge as an excitation order, Polish Quantum Chemistry from Kołos to Now, Elsevier, ISBN:978-04-431859-4-6, pp. 191-207, 2023
  • T. Korona, M. Hapka, K. Pernal, K. Patkowski, How to make symmetry-adapted perturbation theory more accurate?, Polish Quantum Chemistry from Kołos to Now, Elsevier, ISBN:978-04-431859-4-6, pp. 37-72, 2023
  • K. Biswas, M. Urbani, A. Sánchez-Grande, D. Soler-Polo, K. Lauwaet, A. Matěj, P. Mutombo, L. Veis, J. Brabec, K. Pernal, J. M. Gallego, R. Miranda, D. Écija, P. Jelínek, T. Torres, J. I. Urgel, Interplay between π-Conjugation and Exchange Magnetism in One-Dimensional Porphyrinoid Polymers, J. Am. Chem. Soc. 144(28), 12725-12731, 2022
  • M. Hapka, K. Pernal, H. J. A. Jensen, An efficient implementation of time-dependent linear-response theory for strongly orthogonal geminal wave function models, J. Chem. Phys. 156(17), 174102, 2022
  • D. Drwal, P. Beran, M. Hapka, M. Modrzejewski, A. Sokół, L. Veis, K. Pernal, Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet–Triplet Gaps of Biradicals, J. Phys. Chem. Lett. 13(20), 4570-4578, 2022
  • M. R. Jangrouei, A. Krzemińska-Kowalska, M. Hapka, E. Pastorczak, K. Pernal, Dispersion Interactions in Exciton-Localized States. Theory and Applications to π–π* and n−π* Excited States, J. Chem. Theory Comput. 18(6), 3497-3511, 2022
  • P. Kowalski, A. Krzemińska-Kowalska, K. Pernal, E. Pastorczak, Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis, J. Phys. Chem. A 126(7), 1312-1319, 2022
  • A. M. Teale, T. Helgaker, A. Savin, C. Adamo, B. Aradi, A. V. Arbuznikov, P. W. Ayers, E. J. Baerends, V. Barone, P. Calaminici, E. Cancès, E. A. Carter, P. K. Chattaraj, H. Chermette, I. Ciofini, T. D. Crawford, F. D. Proft, J. F. Dobson, C. Draxl, T. Frauenheim, E. Fromager, P. Fuentealba, L. Gagliardi, G. Galli, J. Gao, P. Geerlings, N. I. Gidopoulos, P. M. W. Gill, P. Gori-Giorgi, A. Görling, T. Gould, S. Grimme, O. Gritsenko, H. J. A. Jensen, E. R. Johnson, R. O. Jones, M. Kaupp, A. M. Köster, L. Kronik, A. I. Krylov, S. Kvaal, A. Laestadius, M. Levy, M. Lewin, S. Liu, P.-F. Loos, N. T. Maitra, F. Neese, J. P. Perdew, K. Pernal, P. Pernot, P. Piecuch, E. Rebolini, L. Reining, P. Romaniello, A. Ruzsinszky, D. R. Salahub, M. Scheffler, P. Schwerdtfeger, V. N. Staroverov, J. Sun, E. Tellgren, D. J. Tozer, S. B. Trickey, C. A. Ullrich, A. Vela, G. Vignale, T. Wesołowski, X. Xu, W. Yang, DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science, Phys. Chem. Chem. Phys. 24(47), 28700-28781, 2022
  • P. Beran, M. Matoušek, M. Hapka, K. Pernal, L. Veis, Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection, pp. 7575-7585, November 2021
  • M. Hapka, M. Przybytek, K. Pernal, Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers, pp. 5538-5555, August 2021
  • K. Pernal, M. Hapka, Range‐separated multiconfigurational density functional theory methods, pp. e1566, August 2021
  • M. R. Jangrouei, K. Pernal, O. Gritsenko, On-top description of the effect of excitation on electron correlation with quasiparticles, Phys. Rev. A 104(2), 022804, 2021