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Michał Hapka
Michał Hapka
Zweryfikowany adres z uw.edu.pl
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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
1092014
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
782012
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
762015
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
542012
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
362021
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
312021
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
262013
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
252019
Role of spin polarization and dynamic correlation in singlet–triplet gap inversion of heptazine derivatives
D Drwal, M Matousek, P Golub, A Tucholska, M Hapka, J Brabec, L Veis, ...
Journal of Chemical Theory and Computation 19 (21), 7606-7616, 2023
242023
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
242020
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
232018
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
222014
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
212014
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
202017
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
192023
Range‐separated multiconfigurational density functional theory methods
K Pernal, M Hapka
Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (2), e1566, 2022
192022
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
182022
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
182017
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
172009
Second-order exchange-dispersion energy based on a multireference description of monomers
M Hapka, M Przybytek, K Pernal
Journal of Chemical Theory and Computation 15 (12), 6712-6723, 2019
162019
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