Investigation of multiconfigurational short-range density functional theory for electronic excitations in organic molecules M Hubert, ED Hedegard, HJA Jensen Journal of chemical theory and computation 12 (5), 2203-2213, 2016 | 32 | 2016 |
Excitation spectra of nucleobases with multiconfigurational density functional theory M Hubert, HJA Jensen, ED Hedegård The Journal of Physical Chemistry A 120 (1), 36-43, 2016 | 22 | 2016 |
Excitation energies from relativistic coupled-cluster theory of general excitation rank: Initial implementation and application to the silicon atom and to the molecules H … M Hubert, LK Sørensen, J Olsen, T Fleig Physical Review A—Atomic, Molecular, and Optical Physics 86 (1), 012503, 2012 | 20 | 2012 |
Electric dipole moments due to nuclear Schiff moment interactions: A reassessment of the atoms Xe, Hg, and the molecule TlF M Hubert, T Fleig Physical Review A 106 (2), 022817, 2022 | 14* | 2022 |
General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: Implementation and application to ScH M Hubert, J Olsen, J Loras, T Fleig The Journal of Chemical Physics 139 (19), 2013 | 11 | 2013 |
Candidate Molecules for Next-Generation Searches of Hadronic Charge-Parity Violation A Marc, M Hubert, T Fleig arXiv preprint arXiv:2309.11633, 2023 | 4 | 2023 |
Relativistic Coupled Cluster theory for excited states at a general excitation rank. Applications to diatomic molecules. M Hubert Université Paul Sabatier Toulouse III, 2013 | 1 | 2013 |