Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form

We review the performance of the PBEint generalized gradient approximation functional (Fabiano et al., 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 metalmolecule interactions. We find that PBEint and hPBEint (with 16.67% HartreeFock 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 metalmolecule interfaces. (C) 2012 Wiley Periodicals, Inc.