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A very popular ab-initio scheme to calculate electronic properties in solidsis the use of hybrid functionals in density functional theory (DFT) that mixesa portion of Fock exchange with DFT functionals. In spite of their success, amajor problem still remains, related to the use of one single mixing parameterfor all materials. Guided by physical arguments that connect the mixingparameter to the dielectric properties of the solid, and ultimately to its bandgap, we propose a method to calculate this parameter from the electronicdensity alone. This method is able to cut significantly the error oftraditional hybrid functionals for large and small gap materials, whileretaining a good description of structural properties. Moreover, itsimplementation is simple and leads to a negligible increase of thecomputational time.

Density-based mixing parameter for hybrid functionals