The most important publications of Gábor I. Csonka
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(88) Perdew, J.P.;
Ruzsinszky, A.;
Csonka, G. I.; Vydrov, O. A.; Scuseria, G. E.; Constantin, L.; Zhou,
X.; Burke, K;
Restoring the density-gradient expansion for
exchange in solids and surfaces
Phys. Rev. Lett. 2008 accepted [arxiv
Preprint].
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(85)
Perdew, J.P.; Ruzsinszky, A.; Csonka, G. I.; Vydrov, O. A.; Scuseria, G. E.; Staroverov, V. N.; Tao, J.
Exchange and Correlation in Open Systems of Fluctuating Electron Number
Phys. Rev. A 2007, 76,
040501 (R), Local
reprint., Local reprint.
[arxiv Preprint].
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(84)
Ruzsinszky, A.; Perdew, J.P.; Csonka, G. I.; Vydrov, O. A.; Scuseria, G. E.;
Density functionals that are one- and two- but not many-electron self-interaction free:
Tests for H2+, He2+, LiH+, and
Ne2+
J. Chem. Phys. 2007, 126, 104102, Local reprint.
Times Cited: 2
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(82)
Ruzsinszky, A.; Perdew, J.P.; Csonka, G. I.; Vydrov, O. A.; Scuseria, G. E.;
Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals
J. Chem. Phys. 2006, 125, 194112, Local reprint.
Times Cited: 4
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(80) Csonka, G. I.; Ruzsinszky, A.; Perdew, J.P.
Proper Gaussian Basis Sets for Density Functional Studies of Water Dimers and Trimers
J. Phys. Chem. B. 2005, 109, 21471-21475.
ACS reprint. http://dx.doi.org/10.1021/jp055443+ Local reprint. Supporting material (MSW doc)
Times Cited: 6
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(79) Ruzsinszky, A.; Perdew, J.P. ; Csonka, G. I.
Binding Energy Curves from Nonempirical Density Functionals I. Shared-Electron Bonds in Closed-Shell and Radical Molecules
J. Phys. Chem. A. 2005, in press
ACS reprint. http://dx.doi.org/10.1021/jp0534479 Local reprint
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(78) Csonka, G. I.; Ruzsinszky, A.; Perdew, J.P.
Estimation, Computation and Experimental Correction of Molecular Zero-Point Vibrational Energies
J. Phys. Chem. A. 2005, 109, 6779-6789.
ACS reprint. http://dx.doi.org/10.1021/jp0519464 Local reprint. C2 formatted checkpoint file
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(77) Perdew, J.P.; Ruzsinszky, A.; Tao, J; Staroverov, V. N.; Scuseria, G. E.; Csonka, G. I.
Prescription for the design and selection of density functional approximations:
More constraint satisfaction with fewer fits
J. Chem. Phys. 2005, 123, 062201. doi:http://dx.doi.org/10.1063/1.1904565, Local reprint.
- (75) Csonka, G. I.; Ruzsinszky, A.; Tao, J;
Perdew J.P.
Energies of Organic Molecules and Atoms in Density Functional Theory
Int. J. Quant. Chem., 2005,
101, 506. Local
reprint
- (69) Csonka, G. I., Schubert G. A., Perczel A.,
Sosa, C. P., Csizmadia, I. G.,
Ab Initio
Conformational Space Study of Model Compounds of O-Glycosides of
serinediamide
Chem. Eur. J. 2002, 8, No. 20, 4718-4733.
- (62) Csonka, G. I., Sosa, C. P. Ab inito
Conformational Study of Two Lewis X Analogs, J. Phys. Chem. A 2000, 104, 7113-22.
Limited reprint from JPC A.
Struture databases: chex, diol. Local reprint. cited: 5(4)
- (57) Csonka, G. I., and Johnson, B. G., Inclusion of exact exchange for
self-interaction corrected H3 density functional potential energy surface, Theor. Chem.
Acc., 99
(1998) 3, 158-165. reprint
cited:
9(9)
- (55) Csonka, G. I., Éliás, K., Kolossváry, I., Sosa, C. P., Csizmadia, I. G.,
Theoretical study of alternative ring forms of a-L-fucopyranose, J. Phys. Chem. A, 1998 (102)
1219-1229. reprint cited: 11(8)
- (52) Csonka, G. I., Nguyen, N. A., Kolossváry, I., Simple tests for density
functionals, J. Comput. Chem., 18 (1997) 1534. reprint cited: 9(9)
- (46) Csonka, G. I., Éliás, K., Csizmadia, I. G., Ab initio and density
functional study of the conformational space of 1C4 -L-fucose, J. Comput. Chem., 18 (1997) 330-342. reprint cited: 17(14)
- (42) Csonka, G. I., Éliás, K., Csizmadia, I. G., Relative stability of 1C4 and 4C1 chair forms of b-D-glucose: a density
functional study, Chem. Phys. Lett.,
257 (1996) 49. cited: 32(23)