Comment on “Assessment of exchange correlation functionals” [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160–166]

Additional results of the recently proposed B97GGA-1 density functional [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160] for molecular dissociation energies, reaction energies and structure parameters are presented. Compared to the BP86 functional, improved energetics and bond lengths are found for electron-rich main-group compounds, but the new GGA seems to fail for weakly bound molecules. These shortcomings are analyzed in connection with the fitting procedure employed by Cohen and Handy. We discuss whether B97GGA-1 is recommendable for general applications in chemistry.