János G. Ángyán
János G. Ángyán
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Cited by
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
Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections
T Bucko, J Hafner, S Lebčgue, JG Angyán
The Journal of Physical Chemistry A 114 (43), 11814-11824, 2010
Assessing the performance of recent density functionals for bulk solids
GI Csonka, JP Perdew, A Ruzsinszky, PHT Philipsen, S Lebčgue, J Paier, ...
Physical Review B 79 (15), 155107, 2009
Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation
S Lebčgue, J Harl, T Gould, JG Ángyán, G Kresse, JF Dobson
Physical review letters 105 (19), 196401, 2010
Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids
T Bučko, S Lebčgue, J Hafner, JG Angyan
Physical Review B 87 (6), 064110, 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 72 (1), 012510, 2005
Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation
J Toulouse, IC Gerber, G Jansen, A Savin, JG Angyán
arXiv preprint arXiv:0812.3302, 2008
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
Hybrid functional with separated range
IC Gerber, JG Angyán
Chemical physics letters 415 (1-3), 100-105, 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
Polymorphism in silica studied in the local density and generalized-gradient approximations
T Demuth, Y Jeanvoine, J Hafner, JG Angyan
Journal of Physics: Condensed Matter 11 (19), 3833, 1999
Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning
T Bučko, S Lebčgue, JG Ángyán, J Hafner
The Journal of chemical physics 141 (3), 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
Brřnsted 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
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
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
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 82 (3), 032502, 2010
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
Geometry optimization of periodic systems using internal coordinates
T Bučko, J Hafner, JG Ángyán
The Journal of chemical physics 122 (12), 2005
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
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