Gábor I. Csonka
Gábor I. Csonka
Professor of Chemistry, Budapest Univ. of Techn. and Econ.; Adjunct Prof., Temple and Tulane
Bestätigte E-Mail-Adresse bei mail.bme.hu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Restoring the density-gradient expansion for exchange in solids and surfaces
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical review letters 100 (13), 136406, 2008
58722008
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
JP Perdew, A Ruzsinszky, J Tao, VN Staroverov, GE Scuseria, GI Csonka
The Journal of chemical physics 123 (6), 062201, 2005
9082005
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
5092009
Workhorse semilocal density functional for condensed matter physics and quantum chemistry
JP Perdew, A Ruzsinszky, GI Csonka, LA Constantin, J Sun
Physical Review Letters 103 (2), 026403, 2009
4902009
Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals
A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 125 (19), 194112, 2006
3612006
Some fundamental issues in ground-state density functional theory: A guide for the perplexed
JP Perdew, A Ruzsinszky, LA Constantin, J Sun, GI Csonka
Journal of Chemical Theory and Computation 5 (4), 902-908, 2009
3562009
Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for , , , and
A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 126 (10), 104102, 2007
2632007
Evaluation of density functionals and basis sets for carbohydrates
GI Csonka, AD French, GP Johnson, CA Stortz
Journal of chemical theory and computation 5 (4), 679-692, 2009
1742009
Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
J Sun, M Marsman, GI Csonka, A Ruzsinszky, P Hao, YS Kim, G Kresse, ...
Physical Review B 84 (3), 035117, 2011
1692011
Exchange and correlation in open systems of fluctuating electron number
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical Review A 76 (4), 040501, 2007
1462007
Density functionals that recognize covalent, metallic, and weak bonds
J Sun, B Xiao, Y Fang, R Haunschild, P Hao, A Ruzsinszky, GI Csonka, ...
Physical review letters 111 (10), 106401, 2013
1432013
Scaling down the Perdew-Zunger self-interaction correction in many-electron regions
OA Vydrov, GE Scuseria, JP Perdew, A Ruzsinszky, GI Csonka
The Journal of chemical physics 124 (9), 094108, 2006
1182006
The origin of the problems with PM3 core repulsion function
GI Csonka, JG Ángyán
Journal of Molecular Structure (Theochemi 393 (1997) 31, 38, 1997
1061997
Comparison of different force fields for the study of disaccharides
CA Stortz, GP Johnson, AD French, GI Csonka
Carbohydrate research 344 (16), 2217-2228, 2009
932009
Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics
A Ruzsinszky, JP Perdew, GI Csonka
The Journal of Physical Chemistry A 109 (48), 11015-11021, 2005
912005
Proper basis set for quantum mechanical studies of potential energy surfaces of carbohydrates
GI Csonka
Journal of Molecular Structure: THEOCHEM 584 (1), 1-4, 2002
912002
Relative stability of 1C4 and 4C1 chair forms of β-D-glucose: a density functional study
GI Csonka, K Éliás, IG Csizmadia
Chemical physics letters 257 (1-2), 49-60, 1996
911996
Global hybrid functionals: A look at the engine under the hood
GI Csonka, JP Perdew, A Ruzsinszky
Journal of Chemical Theory and Computation 6 (12), 3688-3703, 2010
882010
Unified inter-and intramolecular dispersion correction formula for generalized gradient approximation density functional theory
SN Steinmann, G Csonka, C Corminboeuf
Journal of Chemical Theory and Computation 5 (11), 2950-2958, 2009
862009
The RPA atomization energy puzzle
A Ruzsinszky, JP Perdew, GI Csonka
Journal of Chemical Theory and Computation 6 (1), 127-134, 2010
832010
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