Daniel Rohr
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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), 164105, 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
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), 034106, 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
Combining density-functional theory and density-matrix-functional theory
DR Rohr, J Toulouse, K Pernal
Physical Review A 82 (5), 052502, 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
Open-shell reduced density matrix functional theory
DR Rohr, K Pernal
The Journal of chemical physics 135 (7), 074104, 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
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
J. Mol. Struct.: THEOCHEM
D Rohr, OV Gritsenko, EJ Baerends
A new scheme to calculate isotope effects
K Świderek, A Dybala-Defratyka, DR Rohr
Journal of molecular modeling 17, 2175-2182, 2011
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
Electron correlation in orbital dependent functionals
DR Rohr
Ph. D. dissertation (Vrije Universiteit Amsterdam, 2008), 2008
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
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
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