| Electronic structure of two-dimensional crystals from ab initio theory S Lebegue, O Eriksson Physical Review B 79 (11), 115409, 2009 | 1247 | 2009 |
| Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections T Bucko, J Hafner, S Lebègue, JG Angyán The Journal of Physical Chemistry A 114 (43), 11814-11824, 2010 | 1045 | 2010 |
| 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 79 (15), 155107, 2009 | 962 | 2009 |
| Huge excitonic effects in layered hexagonal boron nitride B Arnaud, S Lebègue, P Rabiller, M Alouani Physical review letters 96 (2), 026402, 2006 | 467 | 2006 |
| Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation S Lebègue, J Harl, T Gould, JG Ángyán, G Kresse, JF Dobson Physical review letters 105 (19), 196401, 2010 | 425 | 2010 |
| Two-Dimensional Materials from Data Filtering and Ab Initio Calculations S Lebègue, T Björkman, M Klintenberg, RM Nieminen, O Eriksson Physical Review X 3 (3), 031002, 2013 | 404 | 2013 |
| Effect of van der Waals interactions on the structural and elastic properties of black phosphorus S Appalakondaiah, G Vaitheeswaran, S Lebegue, NE Christensen, ... Physical Review B 86 (3), 035105, 2012 | 388 | 2012 |
| Electron-hole symmetry and magnetic coupling in antiferromagnetic LaFeAsO ZP Yin, S Lebegue, MJ Han, BP Neal, SY Savrasov, WE Pickett Physical Review Letters 101 (4), 047001, 2008 | 382 | 2008 |
| Accurate electronic band gap of pure and functionalized graphane from GW calculations S Lebegue, M Klintenberg, O Eriksson, MI Katsnelson Physical Review B 79 (24), 245117, 2009 | 370 | 2009 |
| Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids T Bučko, S Lebègue, J Hafner, JG Angyan Physical Review B 87 (6), 064110, 2013 | 364 | 2013 |
| Electronic structure and properties of the Fermi surface of the superconductor LaOFeP S Lebegue Physical Review B 75 (3), 035110, 2007 | 353 | 2007 |
| Implementation of an all-electron GW approximation based on the projector augmented wave method without plasmon pole approximation: Application to Si, SiC, AlAs, InAs, NaH, and KH S Lebègue, B Arnaud, M Alouani, PE Bloechl Physical Review B 67 (15), 155208, 2003 | 261 | 2003 |
| Two-dimensional indium selenides compounds: an ab initio study L Debbichi, O Eriksson, S Lebègue The journal of physical chemistry letters 6 (15), 3098-3103, 2015 | 219 | 2015 |
| Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning T Bučko, S Lebègue, JG Ángyán, J Hafner The Journal of chemical physics 141 (3), 2014 | 218 | 2014 |
| Improved density dependent correction for the description of London dispersion forces T Bucko, S Lebegue, J Hafner, JG Angyan Journal of chemical theory and computation 9 (10), 4293-4299, 2013 | 210 | 2013 |
| From Hydrated Ni3(OH)2(C8H4O4)2(H2O)4 to Anhydrous Ni2(OH)2(C8H4O4): Impact of Structural Transformations on Magnetic Properties A Mesbah, P Rabu, R Sibille, S Lebègue, T Mazet, B Malaman, ... Inorganic chemistry 53 (2), 872-881, 2014 | 206 | 2014 |
| Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions M Amft, S Lebègue, O Eriksson, NV Skorodumova Journal of Physics: Condensed Matter 23 (39), 395001, 2011 | 205 | 2011 |
| Chalcogen bonding: experimental and theoretical determinations from electron density analysis. Geometrical preferences driven by electrophilic–nucleophilic interactions ME Brezgunova, J Lieffrig, E Aubert, S Dahaoui, P Fertey, S Lebègue, ... Crystal growth & design 13 (8), 3283-3289, 2013 | 170 | 2013 |
| Theoretical analysis of the chemical bonding and electronic structure of graphene interacting with Group IA and Group VIIA elements M Klintenberg, S Lebegue, MI Katsnelson, O Eriksson Physical Review B 81 (8), 085433, 2010 | 167 | 2010 |
| Evolving properties of two-dimensional materials: from graphene to graphite M Klintenberg, S Lebegue, C Ortiz, B Sanyal, J Fransson, O Eriksson Journal of Physics: Condensed Matter 21 (33), 335502, 2009 | 129 | 2009 |
