Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry
Bates, J. E, Mezei, P. D, Csonka, G. I, Sun, J, Ruzsinszky, A
Published in Journal of chemical theory and computation (10.01.2017)
Published in Journal of chemical theory and computation (10.01.2017)
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Simple tests for density functional methods
Csonka, Gábor I., Nguyen, Nam Anh, Kolossváry, István
Published in Journal of computational chemistry (01.09.1997)
Published in Journal of computational chemistry (01.09.1997)
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Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits
Perdew, John P, Ruzsinszky, Adrienn, Tao, Jianmin, Staroverov, Viktor N, Scuseria, Gustavo E, Csonka, Gábor I
Published in The Journal of chemical physics (08.08.2005)
Published in The Journal of chemical physics (08.08.2005)
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Comparison ofab initio and density functional methods for vibrational analysis of TeCl4
Kov cs, Attila, Csonka, G bor I., Keser?, Gy rgy M.
Published in Journal of computational chemistry (01.02.1998)
Published in Journal of computational chemistry (01.02.1998)
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Journal Article
Binding Energy Curves from Nonempirical Density Functionals II. van der Waals Bonds in Rare-Gas and Alkaline-Earth Diatomics
Ruzsinszky, Adrienn, Perdew, John P, Csonka, Gábor I
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.12.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.12.2005)
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Journal Article
Binding Energy Curves from Nonempirical Density Functionals. I. Covalent Bonds in Closed-Shell and Radical Molecules
Ruzsinszky, Adrienn, Perdew, John P, Csonka, Gábor I
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.12.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.12.2005)
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Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies
Csonka, Gábor I, Ruzsinszky, Adrienn, Perdew, John P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.08.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.08.2005)
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Journal Article
Proper Gaussian Basis Sets for Density Functional Studies of Water Dimers and Trimers
Csonka, Gábor I, Ruzsinszky, Adrienn, Perdew, John P
Published in The journal of physical chemistry. B (24.11.2005)
Published in The journal of physical chemistry. B (24.11.2005)
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Prospects in computational molecular medicine: a millennial mega-project on peptide folding
Berg, M.A., Chasse, G.A., Deretey, E., Füzéry, A.K., Fung, B.M., Fung, D.Y.K., Henry-Riyad, H., Lin, A.C., Mak, M.L., Mantas, A., Patel, M., Repyakh, I.V., Staikova, M., Salpietro, S.J., Tang, Ting-Hua, Vank, J.C., Perczel, A., Csonka, G.I., Farkas, Ö., Torday, L.L., Székely, Z., Csizmadia, I.G.
Published in Journal of molecular structure. Theochem (03.04.2000)
Published in Journal of molecular structure. Theochem (03.04.2000)
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