ABSTRACT
The framework provided by the Kohn-Sham1 (KS) form of density functional theory2 for the electronic structure description of atoms, molecules, and solids has become of great importance. Currently available approximations to the exchangecorrelation (XC) energy functional allow the study of small, medium, and large systems with a reasonable computational effort and quality of outcomes.3-7 However, the accuracy in the prediction of structural, thermodynamic, and kinetic properties, among others, with comparatively simple functionals needs to be increased beyond present limits to achieve a reliable method for the description of a wide variety of systems with different characteristics.8
