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
O. Gritsenko, J. Wang, P. J. Knowles, Symmetry dependence and universality of practical algebraic functionals in density-matrix-functional theory, Phys. Rev. A, vol. 99, no. 4, pp. 042516, April 2019
M. Izdebski, Measurement of quadratic electrogyration effect in KDP crystals for light propagating along the optical axis, J. Appl. Crystallogr., vol. 52, pp. 158-167, February 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., vol. 716, pp. 227--230, February 2019
A. Jarota, E. Pastorczak, W. Tawfik, B. Xue, R. Kania, H. Abramczyk, T. Kobayashi, Exploring ultrafast dynamics of diarylethene derivative by sub-10 fs laser pulses, Phys. Chem. Chem. Phys., no. 21, pp. 192-204 , January 2019