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We devise a scheme for converting an existing exchange functional into itsrange-separated hybrid variant. The underlying exchange hole of theBecke-Roussel type has the exact second-order expansion in the interelectrondistance. The short-range part of the resulting range-separated exchange energydepends on the kinetic energy density and the Laplacian even if the basefunctional lacks the dependence on these variables. The most successfulpractical realization of the scheme, named LC-PBETPSS, combines therange-separated PBE exchange lifted to the hybrid meta-GGA rung and the TPSScorrelation. The value of the range-separation parameter is estimatedtheoretically and confirmed by empirical optimization. The D3 dispersioncorrection is recommended for all energy computations employing the presentedfunctional. Numerical tests show remarkably robust performance of the methodfor noncovalent interaction energies, barrier heights, main-groupthermochemistry, and excitation energies.

Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions