| Organic electronic materials: recent advances in the DFT description of the ground and excited states using tuned range-separated hybrid functionals T Körzdörfer, JL Brédas Accounts of chemical research 47 (11), 3284-3291, 2014 | 387 | 2014 |
| Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length T Körzdörfer, JS Sears, C Sutton, JL Brédas The Journal of chemical physics 135 (20), 2011 | 284 | 2011 |
| Benchmark of methods for azabenzenes N Marom, F Caruso, X Ren, OT Hofmann, T Körzdörfer, JR Chelikowsky, ... Physical Review B—Condensed Matter and Materials Physics 86 (24), 245127, 2012 | 219 | 2012 |
| Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods JW Knight, X Wang, L Gallandi, O Dolgounitcheva, X Ren, JV Ortiz, ... Journal of chemical theory and computation 12 (2), 615-626, 2016 | 201 | 2016 |
| Ionization energies, electron affinities, and polarization energies of organic molecular crystals: quantitative estimations from a polarizable continuum model (PCM)-tuned range … H Sun, S Ryno, C Zhong, MK Ravva, Z Sun, T Körzdörfer, JL Bredas Journal of chemical theory and computation 12 (6), 2906-2916, 2016 | 148 | 2016 |
| Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals JS Sears, T Koerzdoerfer, CR Zhang, JL Brédas The Journal of chemical physics 135 (15), 2011 | 148 | 2011 |
| Strategy for finding a reliable starting point for demonstrated for molecules T Körzdörfer, N Marom Physical Review B—Condensed Matter and Materials Physics 86 (4), 041110, 2012 | 146 | 2012 |
| When to trust photoelectron spectra from Kohn-Sham eigenvalues: The case of organic semiconductors T Körzdörfer, S Kümmel, N Marom, L Kronik Physical Review B—Condensed Matter and Materials Physics 79 (20), 201205, 2009 | 121 | 2009 |
| Accurate ionization potentials and electron affinities of acceptor molecules II: non-empirically tuned long-range corrected hybrid functionals L Gallandi, N Marom, P Rinke, T Körzdörfer Journal of chemical theory and computation 12 (2), 605-614, 2016 | 101 | 2016 |
| Orbital density reconstruction for molecules M Dauth, T Körzdörfer, S Kümmel, J Ziroff, M Wießner, A Schöll, F Reinert, ... Physical review letters 107 (19), 193002, 2011 | 101 | 2011 |
| On the relationship between bond-length alternation and many-electron self-interaction error T Körzdörfer, RM Parrish, JS Sears, CD Sherrill, JL Brédas The Journal of chemical physics 137 (12), 2012 | 100 | 2012 |
| Self-interaction correction and the optimized effective potential T Körzdörfer, S Kümmel, M Mundt The Journal of chemical physics 129 (1), 2008 | 99 | 2008 |
| Electrical Response of Molecular Systems: The Power<? format?> of Self-Interaction Corrected Kohn-Sham Theory T Körzdörfer, M Mundt, S Kümmel Physical review letters 100 (13), 133004, 2008 | 97 | 2008 |
| Single-particle and quasiparticle interpretation of Kohn-Sham and generalized Kohn-Sham eigenvalues for hybrid functionals T Körzdörfer, S Kümmel Physical Review B—Condensed Matter and Materials Physics 82 (15), 155206, 2010 | 81 | 2010 |
| A Highly K+‐Selective Phenylaza‐[18]crown‐6‐Lariat‐Ether‐Based Fluoroionophore and Its Application in the Sensing of K+ Ions with an Optical Sensor Film and … S Ast, T Schwarze, H Müller, A Sukhanov, S Michaelis, J Wegener, ... Chemistry–A European Journal 19 (44), 14911-14917, 2013 | 79 | 2013 |
| Assessment of the performance of tuned range-separated hybrid density functionals in predicting accurate quasiparticle spectra T Körzdörfer, RM Parrish, N Marom, JS Sears, CD Sherrill, JL Brédas Physical Review B—Condensed Matter and Materials Physics 86 (20), 205110, 2012 | 76 | 2012 |
| Kohn-Sham self-interaction correction in real time D Hofmann, T Körzdörfer, S Kümmel Physical review letters 108 (14), 146401, 2012 | 71 | 2012 |
| Electrical response of molecular chains in density functional theory: Ultranonlocal response from a semilocal functional R Armiento, S Kümmel, T Körzdörfer Physical Review B—Condensed Matter and Materials Physics 77 (16), 165106, 2008 | 69 | 2008 |
| Sequence dependence of electron-induced DNA strand breakage revealed by DNA nanoarrays A Keller, J Rackwitz, E Cauët, J Liévin, T Körzdörfer, A Rotaru, KV Gothelf, ... Scientific reports 4 (1), 7391, 2014 | 57 | 2014 |
| Long-Range Corrected DFT Meets GW: Vibrationally Resolved Photoelectron Spectra from First Principles L Gallandi, T Körzdörfer Journal of Chemical Theory and Computation 11 (11), 5391-5400, 2015 | 54 | 2015 |
