Seuraa
Gábor I. Csonka
Gábor I. Csonka
Professor of Chemistry, Adjunct Prof., Temple, and Tulane
Vahvistettu sähköpostiosoite verkkotunnuksessa mail.bme.hu - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
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
116672008
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
12982005
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
10592009
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
7612009
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
4902006
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
4652009
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
3602007
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
2912011
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
2242013
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
1682006
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
1652007
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
1282010
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
1242009
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
1242002
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
1211997
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
1072005
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
1032012
Performance of meta-GGA functionals on general main group thermochemistry, kinetics, and noncovalent interactions
P Hao, J Sun, B Xiao, A Ruzsinszky, GI Csonka, J Tao, S Glindmeyer, ...
Journal of Chemical Theory and Computation 9 (1), 355-363, 2013
1022013
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
1022009
Järjestelmä ei voi suorittaa toimenpidettä nyt. Yritä myöhemmin uudelleen.
Artikkelit 1–20