Publikacje i konferencje

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

D. Cieśliński, A. Tucholska, M. Modrzejewski, Post-Kohn–Sham Random-Phase Approximation and Correction Terms in the Expectation-Value Coupled-Cluster Formulation, J. Chem. Theory Comput. 19(19), 6619-6631, 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, str. 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, str. 37-72, 2023

A. Jarota, D. Drwal, J. Pięta, E. Pastorczak, Wide-range IR spectra of diarylethene derivatives and their simulation using the density functional theory, Sci. Rep. 12(1), 16834, 2022

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

A. Krzemińska-Kowalska, J.-E. Sánchez-Aparicio, J.-D. Maréchal, A. Paneth, P. Paneth, Influence of Association on Binding of Disaccharides to YKL-39 and hHyal-1 Enzymes, Int. J. Mol. Sci. 23(14), 7705, 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

A. Krzemińska-Kowalska, N. Kwiatos, F. A. Soares, A. Steinbüchel, Theoretical Studies of Cyanophycin Dipeptides as Inhibitors of Tyrosinases, Int. J. Mol. Sci. 23(6), 3335, 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, str. 7575-7585, Listopad 2021

M. Hapka, M. Przybytek, K. Pernal, Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers, str. 5538-5555, Sierpień 2021

K. Pernal, M. Hapka, Range‐separated multiconfigurational density functional theory methods, str. e1566, Sierpień 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

K. Pernal, M. Hapka, In pursuit of universality, str. 520-521, Maj 2021

K. Madajczyk, P. S. Żuchowski, F. Brzȩk, Ł. Rajchel, D. Kȩdziera, M. Modrzejewski, M. Hapka, Dataset of noncovalent intermolecular interaction energy curves for 24 small high-spin open-shell dimers, J. Chem. Phys. 154(13), 134106, 2021

D. Drwal, E. Pastorczak, K. Pernal, Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum, J. Chem. Phys. 154(16), 164102, 2021

W. Jedwabny, E. Dyguda-Kazimierowicz, K. Pernal, K. Szalewicz, K. Patkowski, Extension of an Atom–Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts, J. Phys. Chem. A 125(8), 1787-1799, 2021

M. R. Jangrouei, K. Pernal, O. Gritsenko, Universal on-top description of electron correlation in the ground and excited many-electron states with correlon quasiparticles, Phys. Rev. A 102(5), 052829, 2020

D. Sidorczuk, M. Kozanecki, B. Civalleri, K. Pernal, J. Prywer, Structural and Optical Properties of Struvite. Elucidating Structure of Infrared Spectrum in High Frequency Range, J. Phys. Chem. A 124(42), 8668-8678, 2020

M. Hapka, A. Krzemińska, K. Pernal, How Much Dispersion Energy Is Included in the Multiconfigurational Interaction Energy?, str. 6280-6293, Wrzesień 2020

M. Hapka, K. Pernal, O. Gritsenko, Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density, J. Phys. Chem. Lett. 11(15), 5883-5889, 2020

E. Maradzike, M. Hapka, K. Pernal, A. E. DePrince, Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection, J. Theor. Comput. Chem. 16(7), 4351-4360, 2020

M. Hapka, K. Pernal, O. Gritsenko, Molecular multibond dissociation with small complete active space augmented by correlation density functionals, J. Chem. Phys. 152(20), 204118, 2020

M. Hapka, M. Modrzejewski, G. Chalasinski, M. M. Szczesniak, Assessment of SAPT(DFT) with meta-GGA functionals, J. Mol. Model. 26(5), 102, 2020

A. Jarota, E. Pastorczak, H. Abramczyk, A deeper look into the photocycloreversion of a yellow diarylethene photoswitch: why is it so fast?, Phys. Chem. Chem. Phys. 22(10), 5408-5412, 2020

M. Hapka, E. Pastorczak, A. Krzemińska-Kowalska, K. Pernal, Long-range-corrected multiconfiguration density functional with the on-top pair density, J. Chem. Phys. 152(9), 094102, 2020

K. Pernal, O. Gritsenko, Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states, Faraday Discuss. 224, 333-347, 2020

E. Fromager, N. I. Gidopoulos, P. Gori-Giorgi, T. Helgaker, P.-F. Loos, T. Malcomson, K. Pernal, A. Savin, D. G. Truhlar, M. Wibowo, W. Yang, Strong correlation in density functional theory: general discussion, Faraday Discuss. 224, 373-381, 2020

J. G. Brandenburg, K. Burke, B. Civalleri, D. J. Cole, G. Csányi, G. David, N. I. Gidopoulos, D. Gowland, T. Helgaker, M. F. Herbst, B. Hourahine, T. J. P. Irons, C. R. Jacob, P.-F. Loos, N. Mehta, M. R. Mulay, J. Neugebauer, K. Pernal, A. Pribram-Jones, P. Romaniello, M. R. Ryder, A. Savin, D. Sirbu, C.-K. Skylaris, D. G. Truhlar, J. Wetherell, W. Yang, Challenges for large scale simulation: general discussion, Faraday Discuss. 224, 309-332, 2020

J. G. Brandenburg, K. Burke, A. Cancio, J. Erhard, E. Fromager, A. Ghosal, N. I. Gidopoulos, P. Gori-Giorgi, T. Helgaker, B. Hourahine, C. R. Jacob, D. Kooi, N. T. Maitra, M. R. Mulay, K. Pernal, A. Pribram-Jones, L. Reining, P. Romaniello, M. R. Ryder, A. Savin, C.-K. Skylaris, A. M. Teale, D. J. Tozer, D. G. Truhlar, W. Yang, New density-functional approximations and beyond: general discussion, Faraday Discuss. 224, 166-200, 2020

J. G. Brandenburg, K. Burke, E. Fromager, M. Gatti, S. Giarrusso, N. I. Gidopoulos, P. Gori-Giorgi, D. Gowland, T. Helgaker, M. J. P. Hodgson, L. Lacombe, G. Levi, P.-F. Loos, N. T. Maitra, E. M. Morais, N. Mehta, F. Monti, M. R. Mulay, K. Pernal, L. Reining, P. Romaniello, M. R. Ryder, A. Savin, D. Sirbu, A. M. Teale, A. J. W. Thom, D. G. Truhlar, J. Wetherell, W. Yang, New approaches to study excited states in density functional theory: general discussion, Faraday Discuss. 224, 483-508, 2020

D. Sidorczuk, M. Kozanecki, B. Civalleri, K. Pernal, J. Prywer, Structural and Optical Properties of Struvite. Elucidating Structure of Infrared Spectrum in High Frequency Range, J. Phys. Chem. A 124, 8668–8678, 2020

M. Hapka, M. Jaszuński, The effect of weak intermolecular interactions on the nuclear magnetic resonance shielding constant in N₂, str. 245-248, Grudzień 2019

M. Hapka, M. Przybytek, K. Pernal, Second-Order Exchange-Dispersion Energy Based on a Multireference Description of Monomers, J. Chem. Theory Comput. 15(12), 6712-6723, 2019

K. Pernal, O. Gritsenko, R. van Meer, Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections, J. Chem. Phys. 151(16), 164122, 2019

E. Pastorczak, M. Hapka, L. Veis, K. Pernal, Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical, J. Phys. Chem. Lett. 10(16), 4668-4674, 2019

O. Gritsenko, K. Pernal, Approximating one-matrix functionals without generalized Pauli constraints, Phys. Rev. A 100(1), 012509, 2019

O. Gritsenko, K. Pernal, Complete active space and corrected density functional theories helping each other to describe vertical electronic π → π* excitations in prototype multiple-bonded molecules, J. Chem. Phys. 151(2), 024111, 2019

E. Pastorczak, H. J. A. Jensen, P. Kowalski, K. Pernal, Generalized Valence Bond Perfect-Pairing Made Versatile Through Electron-Pairs Embedding, J. Chem. Theory Comput. 15(8), 4430-4439, 2019

P. A. Guńka, M. Hapka, M. Hanfland, G. Chalasinski, J. Zachara, Toward Heterolytic Bond Dissociation of Dihydrogen: The Study of Hydrogen in Arsenolite under High Pressure, J. Phys. Chem. C 123(27), 16868-16872, 2019

O. Gritsenko, R. van Meer, K. Pernal, Electron correlation energy with a combined complete active space and corrected density-functional approach in a small basis versus the reference complete basis set limit: A close agreement, Chem. Phys. Lett. 716, 227-230, 2019

O. Gritsenko, R. van Meer, K. Pernal, Electron correlation energy with a combined complete active space and corrected density-functional approach in a small basis versus the reference complete basis set limit: A close agreement, Chem. Phys. Lett. 716, 227–230, 2019

K. Jarzembska, M. Hapka, R. Kamiński, W. Bury, S. Kutniewska, D. Szarejko, M. M. Szczesniak, On the Nature of Luminescence Thermochromism of Multinuclear Copper(I) Benzoate Complexes in the Crystalline State, Crystals 9(1), 36, 2019

A. Jarota, E. Pastorczak, W. Tawfik, B. Xue, R. Kania, H. Abramczyk, T. Kobayashi, Exploring the ultrafast dynamics of a diarylethene derivative using sub-10 fs laser pulses, Phys. Chem. Chem. Phys. 21(1), 192-204, 2019

M. Hapka, M. Przybytek, K. Pernal, Second-Order Dispersion Energy Based on Multireference Description of Monomers, J. Chem. Theory Comput. 15(2), 1016-1027, 2018

O. Gritsenko, R. van Meer, K. Pernal, Efficient evaluation of electron correlation along the bond-dissociation coordinate in the ground and excited ionic states with dynamic correlation suppression and enhancement functions of the on-top pair density, Phys. Rev. A 98(6), 062510, 2018

K. Pernal, Exact and approximate adiabatic connection formulae for the correlation energy in multireference ground and excited states, J. Chem. Phys. 149(20), 204101, 2018

E. Pastorczak, K. Pernal, Molecular interactions in electron-groups embedding generalized valence bond picture, Theor. Chem. Acc. 137(12), 172, 2018

Á. Margócsy, P. Kowalski, K. Pernal, Á. Szabados, Multiple bond breaking with APSG-based correlation methods: comparison of two approaches, Theor. Chem. Acc. 137(11), 159, 2018

E. Pastorczak, K. Pernal, Electronic Excited States from the Adiabatic-Connection Formalism with Complete Active Space Wave Functions, J. Phys. Chem. Lett. 9(18), 5534-5538, 2018

E. Pastorczak, K. Pernal, Correlation Energy from the Adiabatic Connection Formalism for Complete Active Space Wave Functions, J. Chem. Theory Comput. 14(7), 3493-3503, 2018

P. A. Guńka, M. Hapka, M. Hanfland, M. Dranka, G. Chalasinski, J. Zachara, How and Why Does Helium Permeate Nonporous Arsenolite Under High Pressure?, Chemphyschem 19(7), 857-864, 2018

K. Pernal, Electron Correlation from the Adiabatic Connection for Multireference Wave Functions, Phys. Rev. Lett. 120(1), 013001, 2018

E. Pastorczak, J. Shen, M. Hapka, P. Piecuch, K. Pernal, Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches, J. Chem. Theory Comput. 13(11), 5404-5419, 2017

M. Piris, K. Pernal, Comment on “Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices”, Phys. Rev. A 96(4), 046501, 2017

M. Hapka, Ł. Rajchel, M. Modrzejewski, R. Schäffer, G. Chalasinski, M. M. Szczesniak, The nature of three-body interactions in DFT: Exchange and polarization effects, J. Chem. Phys. 147(8), 084106, 2017

K. Pernal, Correlation energy from random phase approximations: A reduced density matrices perspective, Int. J. Quantum Chem. 118(1), e25462, 2017

E. Pastorczak, C. Corminboeuf, Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions, J. Chem. Phys. 146(12), 120901, 2017

J. Kłos, M. Hapka, G. Chalasinski, P. Halvick, T. Stoecklin, Theoretical study of the buffer-gas cooling and trapping of CrH(X⁶Σ⁺) by³He atoms, J. Chem. Phys. 145(21), 214305, 2016

K. Jachymski, M. Hapka, J. Jankunas, A. Osterwalder, Experimental and Theoretical Studies of Low‐Energy Penning Ionization of NH ₃ , CH ₃ F, and CHF ₃, Chemphyschem 17(22), 3776-3782, 2016

S. Yourdkhani, M. Chojecki, M. Hapka, T. Korona, Interaction of Boron–Nitrogen Doped Benzene Isomers with Water, J. Phys. Chem. A 120(31), 6287-6302, 2016

M. Modrzejewski, M. Hapka, G. Chalasinski, M. M. Szczesniak, Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions, str. 3662-3673, Lipiec 2016

J. Jankunas, K. Jachymski, M. Hapka, A. Osterwalder, Communication: Importance of rotationally inelastic processes in low-energy Penning ionization of CHF₃, J. Chem. Phys. 144(22), 221102, 2016

K. Chatterjee, E. Pastorczak, K. Jawulski, K. Pernal, A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction, J. Chem. Phys. 144(24), 244111, 2016

E. Pastorczak, K. Pernal, A road to a multiconfigurational ensemble density functional theory without ghost interactions, Int. J. Quantum Chem. 116(11), 880-889, 2016

K. Pernal, N. I. Gidopoulos, E. Pastorczak, Excitation Energies of Molecules from Ensemble Density Functional Theory, Advances in Quantum Chemistry, Elsevier, str. 199-229, 2016

K. Pernal, Reduced density matrix embedding. General formalism and inter-domain correlation functional, Phys. Chem. Chem. Phys. 18(31), 21111-21121, 2016

E. Pastorczak, A. Prlj, J. F. Gonthier, C. Corminboeuf, Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction, J. Chem. Phys. 143(22), 224107, 2015

K. Pernal, Turning reduced density matrix theory into a practical tool for studying the Mott transition, New J. Phys. 17(11), 111001, 2015

K. Chatterjee, K. Pernal, Excitation energies from time-dependent generalized valence bond method, Péter R. Surján, Springer Berlin Heidelberg, ISBN:978-36-624982-4-8,978-36-624982-5-5, str. 219-227, Wrzesień 2015

K. Chatterjee, K. Pernal, Excitation energies from time-dependent generalized valence bond method, Theor. Chem. Acc. 134(10), 118, 2015

J. Jankunas, K. Jachymski, M. Hapka, A. Osterwalder, Observation of orbiting resonances in He(³S₁) + NH₃Penning ionization, J. Chem. Phys. 142(16), 164305, 2015

M. Hapka, M. Dranka, K. Orłowska, G. Chalasinski, M. M. Szczesniak, J. Zachara, Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands, str. 13641-13650, 2015

E. Pastorczak, K. Pernal, ERPA–APSG: a computationally efficient geminal-based method for accurate description of chemical systems, Phys. Chem. Chem. Phys. 17(14), 8622-8626, 2015

K. Pernal, K. Giesbertz, Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT), Density-Functional Methods for Excited States, Springer International Publishing, ISBN:978-33-192208-0-2,978-33-192208-1-9, str. 125-183, 2015

M. Hapka, Ł. Rajchel, M. Modrzejewski, G. Chalasinski, M. M. Szczesniak, Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory, J. Chem. Phys. 141(13), 134120, 2014

K. Pernal, Intergeminal Correction to the Antisymmetrized Product of Strongly Orthogonal Geminals Derived from the Extended Random Phase Approximation, J. Chem. Theory Comput. 10(10), 4332-4341, 2014

J. Jankunas, B. Bertsche, K. Jachymski, M. Hapka, A. Osterwalder, Dynamics of gas phase Ne^* + NH₃ and Ne^* + ND₃ Penning ionisation at low temperatures, J. Chem. Phys. 140(24), 244302, 2014

J. V. Koppen, M. Hapka, M. Modrzejewski, M. M. Szczesniak, G. Chalasinski, Density functional theory approach to gold-ligand interactions: Separating true effects from artifacts, J. Chem. Phys. 140(24), 244313, 2014

K. Pernal, K. Chatterjee, P. Kowalski, Erratum: “How accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches” [J. Chem. Phys. 140, 014101 (2014)], J. Chem. Phys. 140(18), 189901, 2014

E. Pastorczak, K. Pernal, Ensemble density variational methods with self- and ghost-interaction-corrected functionals, J. Chem. Phys. 140(18), 18A514, 2014

K. Pernal, K. Chatterjee, P. Kowalski, How accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches, J. Chem. Phys. 140(1), 014101, 2014

E. Pastorczak, K. Pernal, Ensemble density variational methods with self- and ghost-interaction-corrected functionals, The Journal of Chemical Physics 140(18), 2014

M. Hapka, J. Kłos, T. Korona, G. Chalasinski, Theoretical Studies of Potential Energy Surface and Bound States of the Strongly Bound He(¹S)–BeO (¹Σ⁺) Complex, J. Phys. Chem. A 117(30), 6657-6663, 2013

M. Hapka, G. Chalasinski, J. Kłos, P. S. Żuchowski, First-principle interaction potentials for metastable He(³S) and Ne(³P) with closed-shell molecules: Application to Penning-ionizing systems, J. Chem. Phys. 139(1), 014307, 2013

E. Pastorczak, N. I. Gidopoulos, K. Pernal, Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle, Phys. Rev. A 87(6), 062501, 2013

K. Pernal, The equivalence of the Piris Natural Orbital Functional 5 (PNOF5) and the antisymmetrized product of strongly orthogonal geminal theory, Comput. Theor. Chem. 1003, 127-129, 2013

E. Pastorczak, N. I. Gidopoulos, K. Pernal, Range-separated ensemble variational method of obtaining excitation energies of molecules , 15th International Conference on Density Functional Theory and its Applications, Durham, UK, 09-13 Wrz 2013

E. Pastorczak, N. I. Gidopoulos, K. Pernal, Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle, Phys. Rev. A 87(6), 062501, 2013