| Screened hybrid density functionals applied to solids J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán The Journal of chemical physics 124 (15), 2006 | 2736 | 2006 |
| Defect energetics in ZnO: A hybrid Hartree-Fock density functional study F Oba, A Togo, I Tanaka, J Paier, G Kresse Physical Review B—Condensed Matter and Materials Physics 77 (24), 245202, 2008 | 1466 | 2008 |
| Assessing the performance of recent density functionals for bulk solids GI Csonka, JP Perdew, A Ruzsinszky, PHT Philipsen, S Lebègue, J Paier, ... Physical Review B—Condensed Matter and Materials Physics 79 (15), 155107, 2009 | 1060 | 2009 |
| Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment J Paier, C Penschke, J Sauer Chemical reviews 113 (6), 3949-3985, 2013 | 1059 | 2013 |
| The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set J Paier, R Hirschl, M Marsman, G Kresse The Journal of chemical physics 122 (23), 2005 | 1056 | 2005 |
| Hybrid functionals applied to extended systems M Marsman, J Paier, A Stroppa, G Kresse Journal of Physics: Condensed Matter 20 (6), 064201, 2008 | 777 | 2008 |
| Why does the B3LYP hybrid functional fail for metals? J Paier, M Marsman, G Kresse The Journal of chemical physics 127 (2), 2007 | 681 | 2007 |
| as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study J Paier, R Asahi, A Nagoya, G Kresse Physical Review B—Condensed Matter and Materials Physics 79 (11), 115126, 2009 | 565 | 2009 |
| Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations C Franchini, R Podloucky, J Paier, M Marsman, G Kresse Physical Review B—Condensed Matter and Materials Physics 75 (19), 195128, 2007 | 374 | 2007 |
| Accurate treatment of solids with the HSE screened hybrid TM Henderson, J Paier, GE Scuseria physica status solidi (b) 248 (4), 767-774, 2011 | 352 | 2011 |
| Dielectric properties and excitons for extended systems from hybrid functionals J Paier, M Marsman, G Kresse Physical Review B—Condensed Matter and Materials Physics 78 (12), 121201, 2008 | 333 | 2008 |
| The AM05 density functional applied to solids AE Mattsson, R Armiento, J Paier, G Kresse, JM Wills, TR Mattsson The Journal of chemical physics 128 (8), 2008 | 305 | 2008 |
| Second-order Møller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set M Marsman, A Grüneis, J Paier, G Kresse The Journal of chemical physics 130 (18), 2009 | 256 | 2009 |
| Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces M Barbatti, J Paier, H Lischka The Journal of chemical physics 121 (23), 11614-11624, 2004 | 222 | 2004 |
| Density functional theory study of MnO by a hybrid functional approach C Franchini, V Bayer, R Podloucky, J Paier, G Kresse Physical Review B—Condensed Matter and Materials Physics 72 (4), 045132, 2005 | 220 | 2005 |
| Van der Waals interactions in ionic and semiconductor solids GX Zhang, A Tkatchenko, J Paier, H Appel, M Scheffler Physical review letters 107 (24), 245501, 2011 | 205 | 2011 |
| Sites for methane activation on lithium‐doped magnesium oxide surfaces K Kwapien, J Paier, J Sauer, M Geske, U Zavyalova, R Horn, P Schwach, ... Angewandte Chemie International Edition 53 (33), 8774-8778, 2014 | 188 | 2014 |
| Hybrid functionals including random phase approximation correlation and second-order screened exchange J Paier, BG Janesko, TM Henderson, GE Scuseria, A Grüneis, G Kresse The Journal of chemical physics 132 (9), 2010 | 188 | 2010 |
| Assessment of correlation energies based on the random-phase approximation J Paier, X Ren, P Rinke, GE Scuseria, A Grüneis, G Kresse, M Scheffler New Journal of Physics 14 (4), 043002, 2012 | 184 | 2012 |
| CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set A Stroppa, K Termentzidis, J Paier, G Kresse, J Hafner Physical Review B—Condensed Matter and Materials Physics 76 (19), 195440, 2007 | 173 | 2007 |
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum Mechanics確認したメール アドレス: univie.ac.at