Dynamics of gas phase Ne*+ NH3 and Ne*+ ND3 Penning ionisation at low temperatures J Jankunas, B Bertsche, K Jachymski, M Hapka, A Osterwalder The Journal of chemical physics 140 (24), 2014 | 108 | 2014 |
Optical absorption spectra of gold clusters Aun (n= 4, 6, 8, 12, 20) from long-range corrected functionals with optimal tuning JV Koppen, M Hapka, MM Szczęśniak, G Chałasiński The Journal of chemical physics 137 (11), 2012 | 78 | 2012 |
Observation of orbiting resonances in He (3S1)+ NH3 Penning ionization J Jankunas, K Jachymski, M Hapka, A Osterwalder The Journal of chemical physics 142 (16), 2015 | 75 | 2015 |
Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes M Hapka, PS Żuchowski, MM Szczęśniak, G Chałasiński The Journal of Chemical Physics 137 (16), 2012 | 51 | 2012 |
Density matrix renormalization group with dynamical correlation via adiabatic connection P Beran, M Matoušek, M Hapka, K Pernal, L Veis Journal of Chemical Theory and Computation 17 (12), 7575-7585, 2021 | 30 | 2021 |
Symmetry-adapted perturbation theory based on multiconfigurational wave function description of monomers M Hapka, M Przybytek, K Pernal Journal of Chemical Theory and Computation 17 (9), 5538-5555, 2021 | 25 | 2021 |
First-principle interaction potentials for metastable He (3S) and Ne (3P) with closed-shell molecules: application to Penning-ionizing systems M Hapka, G Chałasiński, J Kłos, PS Żuchowski The Journal of Chemical Physics 139 (1), 2013 | 25 | 2013 |
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 | 24 | 2019 |
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 | 21 | 2020 |
Second-order dispersion energy based on multireference description of monomers M Hapka, M Przybytek, K Pernal Journal of Chemical Theory and Computation 15 (2), 1016-1027, 2018 | 20 | 2018 |
Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory M Hapka, Ł Rajchel, M Modrzejewski, G Chałasiński, MM Szczęśniak The Journal of Chemical Physics 141 (13), 2014 | 20 | 2014 |
Density functional theory approach to gold-ligand interactions: Separating true effects from artifacts JV Koppen, M Hapka, M Modrzejewski, MM Szczęśniak, G Chałasiński The Journal of Chemical Physics 140 (24), 2014 | 20 | 2014 |
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 |
The nature of three-body interactions in DFT: Exchange and polarization effects M Hapka, Ł Rajchel, M Modrzejewski, R Schäffer, G Chałasiński, ... The Journal of Chemical Physics 147 (8), 2017 | 17 | 2017 |
Theoretical Studies of Potential Energy Surface and Bound States of the Strongly Bound He(1S)–BeO (1Σ+) Complex M Hapka, J Kłos, T Korona, G Chałasiński The Journal of Physical Chemistry A 117 (30), 6657-6663, 2013 | 16 | 2013 |
Differential action of methylselenocysteine in control and alloxan-diabetic rabbits A Kiersztan, A Baranska, M Hapka, M Lebiedzinska, K Winiarska, ... Chemico-Biological Interactions 177 (2), 161-171, 2009 | 16 | 2009 |
TREXIO: A file format and library for quantum chemistry E Posenitskiy, VG Chilkuri, A Ammar, M Hapka, K Pernal, R Shinde, ... The Journal of chemical physics 158 (17), 2023 | 15 | 2023 |
Interaction of boron–nitrogen doped benzene isomers with water S Yourdkhani, M Chojecki, M Hapka, T Korona The Journal of Physical Chemistry A 120 (31), 6287-6302, 2016 | 15 | 2016 |
Communication: Importance of rotationally inelastic processes in low-energy penning ionization of CHF3 J Jankunas, K Jachymski, M Hapka, A Osterwalder The Journal of chemical physics 144 (22), 2016 | 15 | 2016 |
Efficient adiabatic connection approach for strongly correlated systems: Application to singlet–triplet gaps of biradicals D Drwal, P Beran, M Hapka, M Modrzejewski, A Sokół, L Veis, K Pernal The Journal of Physical Chemistry Letters 13 (20), 4570-4578, 2022 | 14 | 2022 |