%0 Journal Article
%T Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form
%A E. Fabiano
%A L. A. Constantin
%A F. Della Sala
%J Physics
%D 2013
%I arXiv
%R 10.1002/qua.24042
%X We review the performance of the PBEint GGA functional (Phys. Rev. B 2010, 82, 113104) recently proposed to improve the description of hybrid interfaces, and we introduce its one-parameter hybrid form (hPBEint). We consider different well established benchmarks for energetic and structural properties of molecular and solid-state systems as well as model systems and newly developed benchmark sets for dipole moments and metal-molecule interactions. We find that PBEint and hPBEint (with 16.67% Hartree-Fock exchange) yield the overall best performance, working well for most of the considered properties and systems and showing a balanced behavior for different problems. In particular, due to their well-balanced accuracy, they perform well for the description of hybrid metal-molecule interfaces.
%U http://arxiv.org/abs/1301.5808v1