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We propose global hybrid approximations of the exchange-correlation (XC)energy functional which reproduce well the modified fourth-order gradientexpansion of the exchange energy in the semiclassical limit of many-electronneutral atoms and recover the full local density approximation (LDA) linearresponse. These XC functionals represent the hybrid versions of the APBEfunctional [Phys. Rev. Lett. 106, 186406, (2011)] yet employing an additionalcorrelation functional which uses the localization concept of the correlationenergy density to improve the compatibility with the Hartree-Fock exchange aswell as the coupling-constant-resolved XC potential energy. Broad energeticaland structural testings, including thermochemistry and geometry, transitionmetal complexes, non-covalent interactions, gold clusters and smallgold-molecule interfaces, as well as an analysis of the hybrid parameters, showthat our construction is quite robust. In particular, our testing shows thatthe resulting hybrid, including 20\% of Hartree-Fock exchange and named hAPBE,performs remarkably well for a broad palette of systems and properties, beinggenerally better than popular hybrids (PBE0 and B3LYP). Semi-empiricaldispersion corrections are also provided.

Global hybrids from the semiclassical atom theory satisfying the local density linear response