| 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 | 2735 | 2006 |
| 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 Angyan The Journal of Physical Chemistry A 114 (43), 11814-11824, 2010 | 1133 | 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—Condensed Matter and Materials Physics 79 (15), 155107, 2009 | 1064 | 2009 |
| Cohesive Properties and Asymptotics of the Dispersion Interaction<? format?> in Graphite by the Random Phase Approximation S Lebegue, J Harl, T Gould, JG Angyan, G Kresse, JF Dobson Physical review letters 105 (19), 196401, 2010 | 441 | 2010 |
| 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—Condensed Matter and Materials Physics 87 (6), 064110, 2013 | 390 | 2013 |
| van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections JG Angyán, IC Gerber, A Savin, J Toulouse Physical Review A—Atomic, Molecular, and Optical Physics 72 (1), 012510, 2005 | 356 | 2005 |
| Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based<? format?> on Range Separation J Toulouse, IC Gerber, G Jansen, A Savin, JG Angyán Physical review letters 102 (9), 096404, 2009 | 322 | 2009 |
| Covalent bond orders and atomic valence indices in the topological theory of atoms in molecules JG Angyan, M Loos, I Mayer The Journal of Physical Chemistry 98 (20), 5244-5248, 1994 | 315 | 1994 |
| Hybrid functional with separated range IC Gerber, JG Angyán Chemical physics letters 415 (1-3), 100-105, 2005 | 311 | 2005 |
| Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives) A Perczel, JG Angyan, M Kajtar, W Viviani, JL Rivail, JF Marcoccia, ... Journal of the American chemical society 113 (16), 6256-6265, 1991 | 299 | 1991 |
| Polymorphism in silica studied in the local density andgeneralized-gradient approximations T Demuth, Y Jeanvoine, J Hafner, JG Angyan Journal of Physics: Condensed Matter 11 (19), 3833, 1999 | 297 | 1999 |
| 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 | 239 | 2013 |
| 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 | 235 | 2014 |
| Brønsted acid sites in HSAPO-34 and chabazite: an ab initio structural study Y Jeanvoine, JG Ángyán, G Kresse, J Hafner The Journal of Physical Chemistry B 102 (29), 5573-5580, 1998 | 204 | 1998 |
| 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 | 177 | 2013 |
| Geometry optimization of periodic systems using internal coordinates T Bučko, J Hafner, JG Ángyán The Journal of chemical physics 122 (12), 2005 | 171 | 2005 |
| Distributed polarizabilities using the topological theory of atoms in molecules JG Ángyán, G Jansen, M Loss, C Hättig, BA Heß Chemical physics letters 219 (3-4), 267-273, 1994 | 170 | 1994 |
| Correlation energy expressions from the adiabatic-connection fluctuation–dissipation theorem approach JG Ángyán, RF Liu, J Toulouse, G Jansen Journal of Chemical Theory and Computation 7 (10), 3116-3130, 2011 | 166 | 2011 |
| Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications J Toulouse, W Zhu, JG Angyán, A Savin Physical Review A—Atomic, Molecular, and Optical Physics 82 (3), 032502, 2010 | 160 | 2010 |
| Bonding between nonbonded sulfur and oxygen atoms in selected organic molecules (a quantum chemical study) JG Angyan, RA Poirier, A Kucsman, IG Csizmadia Journal of the American Chemical Society 109 (8), 2237-2245, 1987 | 155 | 1987 |
