| A density matrix functional with occupation number driven treatment of dynamical and nondynamical correlation DR Rohr, K Pernal, OV Gritsenko, EJ Baerends The Journal of chemical physics 129 (16), 2008 | 112 | 2008 |
| Bond breaking and bond formation: How electron correlation is captured in many-body perturbation theory and density-functional theory F Caruso, DR Rohr, M Hellgren, X Ren, P Rinke, A Rubio, M Scheffler physical review letters 110 (14), 146403, 2013 | 106 | 2013 |
| Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation M Hellgren, DR Rohr, EKU Gross The Journal of Chemical Physics 136 (3), 2012 | 91 | 2012 |
| Static correlation and electron localization in molecular dimers from the self-consistent RPA and approximation M Hellgren, F Caruso, DR Rohr, X Ren, A Rubio, M Scheffler, P Rinke Physical Review B 91 (16), 165110, 2015 | 73 | 2015 |
| Combining density-functional theory and density-matrix-functional theory DR Rohr, J Toulouse, K Pernal Physical Review A 82 (5), 052502, 2010 | 55 | 2010 |
| Precision of total energy and orbital energies with the expansion method for the optimized effective Kohn–Sham potential DR Rohr, OV Gritsenko, EJ Baerends Journal of Molecular Structure: THEOCHEM 762 (1-3), 193-199, 2006 | 25 | 2006 |
| Open-shell reduced density matrix functional theory DR Rohr, K Pernal The Journal of chemical physics 135 (7), 2011 | 23 | 2011 |
| Variational collapse of the optimized effective potential method with an orbital-dependent exchange-correlation functional based on second order perturbation theory D Rohr, O Gritsenko, EJ Baerends Chemical physics letters 432 (1-3), 336-342, 2006 | 22 | 2006 |
| A new scheme to calculate isotope effects K Świderek, A Dybala-Defratyka, DR Rohr Journal of molecular modeling 17, 2175-2182, 2011 | 3 | 2011 |
| Full configuration interaction wave function as a formal solution to the optimized effective potential and Kohn–Sham models in finite basis sets DR Rohr, A Savin Journal of Molecular Structure: THEOCHEM 943 (1-3), 90-93, 2010 | 3 | 2010 |
| Electron correlation in orbital dependent functionals D Rohr | 3 | 2009 |
| Bias‐exchange metadynamics applied to the study of chemical reactivity RE Bulo, H Van Schoot, D Rohr, C Michel International Journal of Quantum Chemistry 110 (12), 2299-2307, 2010 | 2 | 2010 |
| J. Mol. Struct.: THEOCHEM D Rohr, OV Gritsenko, EJ Baerends | 2 | 2006 |
| The bond-breaking and bond-making puzzle: many-body perturbation versus density-functional theory F Caruso, D Rohr, M Hellgren, X Ren, P Rinke, A Rubio, M Scheffler APS March Meeting Abstracts 2013, M24. 008, 2013 | | 2013 |
| Electron correlation in orbital dependent functionals LM Bouter, DR Rohr | | |
| De Tranquillitate animi disputatio, quam sub praesidio... Jacobi Schalleri... more academico defendet Daniel Rohr... ad diem 29. mensis Martii...[Adjectum est carmen Joh … D Rohr Typis expressit J. Pastorius, 0 | | |
Maria HellgrenIMPMC, Sorbonne University, ParisVerified email at upmc.fr
