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., vol. 22, no. 10, pp. 5408-5412, March 2020
M. Hapka, E. Pastorczak, A. Krzemińska, K. Pernal, Long-range-corrected multiconfiguration density functional with the on-top pair density, The Journal of Chemical Physics, vol. 152, no. 9, pp. 094102, March 2020
O. Gritsenko, Quantum collapse as reduction from a continuum of conditional amplitudes in an entangled state to a single actualized amplitude in the collapsed state, Phys. Rev. A, vol. 101, pp. 012106, January 2020
M. Hapka, M. Przybytek, K. Pernal, Second-Order Exchange-Dispersion Energy Based on a Multireference Description of Monomers, J. Chem. Theory Comput., vol. 15, no. 12, pp. 6712-6723, October 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, The Journal of Chemical Physics, vol. 151, no. 16, pp. 164122, October 2019
R. van Meer, O. Gritsenko, Correlation-coupling entropy as a measure of strong electron correlation and fragment-conditional density spin polarization as a measure of electron entanglement, Phys. Rev. A, vol. 100, pp. 032335, September 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, The Journal of Physical Chemistry Letters, vol. 10, no. 16, pp. 4668-4674, August 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., vol. 8, no. 15, pp. 4430-4439, August 2019
O. Gritsenko, K. Pernal, Approximating one-matrix functionals without generalized Pauli constraints, Phys. Rev. A, vol. 100, pp. 012509, July 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, The Journal of Chemical Physics, vol. 151, no. 2, pp. 024111, July 2019