A reparametrization of a meta-GGA exchange-correlation functional with improved descriptions of van der Waals interactions

A new density functional combining the TPSS meta-GGA exchange and the τ1 meta-GGA correlation is studied. The parameters in the τ1 meta-GGA correlation model are reoptimized in a synchronized way to match the original TPSS meta-GGA exchange functional. This reparametrized meta-GGA exchange-correlation functional, named TPSSτ3, yields improved results for hydrogen-bonded and van der Waals complexes compared to Bmτ1 and TPSSτ1.