| The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies EJ Baerends, OV Gritsenko, R Van Meer Physical Chemistry Chemical Physics 15 (39), 16408-16425, 2013 | 443 | 2013 |
| Physical meaning of virtual Kohn–Sham orbitals and orbital energies: an ideal basis for the description of molecular excitations R Van Meer, OV Gritsenko, EJ Baerends Journal of chemical theory and computation 10 (10), 4432-4441, 2014 | 251 | 2014 |
| Stereodirecting effect of the pyranosyl C-5 substituent in glycosylation reactions J Dinkelaar, AR de Jong, R van Meer, M Somers, G Lodder, HS Overkleeft, ... The Journal of Organic Chemistry 74 (14), 4982-4991, 2009 | 103 | 2009 |
| Mössbauer spectroscopy for heavy elements: a relativistic benchmark study of mercury S Knecht, S Fux, R van Meer, L Visscher, M Reiher, T Saue Theoretical Chemistry Accounts 129, 631-650, 2011 | 75 | 2011 |
| The density matrix functional approach to electron correlation: Dynamic and nondynamic correlation along the full dissociation coordinate ŁM Mentel, R Van Meer, OV Gritsenko, EJ Baerends The Journal of Chemical Physics 140 (21), 2014 | 36 | 2014 |
| A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions R Van Meer, OV Gritsenko, EJ Baerends The Journal of chemical physics 148 (10), 2018 | 22 | 2018 |
| Efficient evaluation of electron correlation along the bond-dissociation coordinate in the ground and excited ionic states with dynamic correlation suppression and enhancement … OV Gritsenko, R Van Meer, K Pernal Physical Review A 98 (6), 062510, 2018 | 20 | 2018 |
| Oscillator strengths of electronic excitations with response theory using phase including natural orbital functionals R van Meer, OV Gritsenko, KJH Giesbertz, EJ Baerends The Journal of chemical physics 138 (9), 2013 | 20 | 2013 |
| Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems R Van Meer, OV Gritsenko, EJ Baerends The Journal of Chemical Physics 140 (2), 2014 | 18 | 2014 |
| The one-electron description of excited states: Natural excitation orbitals of density matrix theory and Kohn–Sham orbitals of density functional theory as ideal orbitals R Van Meer, OV Gritsenko, EJ Baerends Chemical Physics Letters 639, 315-319, 2015 | 12 | 2015 |
| Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional … R Van Meer, OV Gritsenko, EJ Baerends The Journal of Chemical Physics 146 (4), 2017 | 10 | 2017 |
| Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections K Pernal, OV Gritsenko, R Van Meer The Journal of Chemical Physics 151 (16), 2019 | 8 | 2019 |
| 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 … OV Gritsenko, R van Meer, K Pernal Chemical Physics Letters 716, 227-230, 2019 | 7 | 2019 |
| Combining density-based dynamical correlation with a reduced-density-matrix strong-correlation description R Van Meer, O Gritsenko, JD Chai Physical Review A 102 (3), 032815, 2020 | 6 | 2020 |
| Correlation-coupling entropy as a measure of strong electron correlation and fragment-conditional density spin polarization as a measure of electron entanglement R Van Meer, OV Gritsenko Physical Review A 100 (3), 032335, 2019 | 6 | 2019 |
| Approximate density matrix functionals applied to hetero-atomic bond dissociation R van Meer, JD Chai The European Physical Journal B 93, 1-12, 2020 | 3 | 2020 |
| Bond-breaking excitations with diverging coupling matrix of response density functional theory from highest-level functionals R Van Meer, OV Gritsenko The European Physical Journal B 91, 1-6, 2018 | 1 | 2018 |
| Physical Meaning of Orbitals in Adiabatic Linear Response Time-Dependent Orbital Functional Theories R van Meer | | 2015 |
Evert Jan BaerendsProfessor of Theoretical Chemistry, Vrije Universiteit, AmsterdamAdresse e-mail validée de vu.nl
