Wyczyść filtry
  • K. Pernal, M. Hapka, Range‐separated multiconfigurational density functional theory methods, str. e1566, Sierpień 2021
     10.1002/wcms.1566 
  • K. Pernal, M. Hapka, In pursuit of universality, str. 520-521, Maj 2021
     10.1038/s41570-021-00297-y 
  • 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
     10.1063/5.0043793 
  • M. Hapka, A. Krzemińska, K. Pernal, How Much Dispersion Energy Is Included in the Multiconfigurational Interaction Energy?, str. 6280-6293, Wrzesień 2020
     10.1021/acs.jctc.0c00681 
  • 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
     10.1021/acs.jpclett.0c01616 
  • 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
     10.1021/acs.jctc.0c00324 
  • 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
     10.1063/5.0009253 
  • M. Hapka, M. Modrzejewski, G. Chalasinski, M. M. Szczesniak, Assessment of SAPT(DFT) with meta-GGA functionals, J. Mol. Model. 26(5), 102, 2020
     10.1007/s00894-020-4340-9 
  • 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
     10.1063/1.5138980 
  • M. Hapka, M. Jaszuński, The effect of weak intermolecular interactions on the nuclear magnetic resonance shielding constant in N<sub>2</sub>, str. 245-248, Grudzień 2019
     10.1002/mrc.4943