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Gábor I. Csonka
Gábor I. Csonka
Professor of Chemistry, Adjunct Prof., Temple, and Tulane
Email verificata su mail.bme.hu - Home page
Titolo
Citata da
Citata da
Anno
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
112802008
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), 2005
12862005
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
10332009
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
7532009
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), 2006
4912006
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
4682009
Density functionals that are one-and two-are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+
A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 126 (10), 2007
3622007
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—Condensed Matter and Materials Physics 84 (3), 035117, 2011
2822011
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
2292013
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
2222009
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), 2006
1692006
Exchange and correlation in open systems of fluctuating electron number
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical Review A—Atomic, Molecular, and Optical Physics 76 (4), 040501, 2007
1662007
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
1292010
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
1212009
The origin of the problems with the PM3 core repulsion function
GI Csonka, JG Ángyán
Journal of Molecular Structure: THEOCHEM 393 (1-3), 31-38, 1997
1161997
Perdew et al. Reply
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical Review Letters 101 (23), 239702, 2008
1132008
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
1132002
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
1062005
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
1021996
Lattice constants from semilocal density functionals with zero-point phonon correction
P Hao, Y Fang, J Sun, GI Csonka, PHT Philipsen, JP Perdew
Physical Review B—Condensed Matter and Materials Physics 85 (1), 014111, 2012
1012012
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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