We present an analysis of the performances of a parameter free density functional model
(PBE0) obtained combining the so called PBE generalized gradient functional with a
predefined amount of exact exchange. The results obtained for structural, thermodynamic,
kinetic and spectroscopic (magnetic, infrared and electronic) properties are satisfactory and
not far from those delivered by the most reliable functionals including heavy
parameterization. The way in which the functional is derived and the lack of empirical …