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Kinetic energy (KE) approximations are key elements in orbital-free densityfunctional theory. To date, the use of non-local functionals, possiblyemploying system dependent parameters, has been considered mandatory in orderto obtain satisfactory accuracy for different solid-state systems, whereassemilocal approximations are generally regarded as unfit to this aim. Here, weshow that instead properly constructed semilocal approximations, thePauli-Gaussian (PG) KE functionals, especially at the Laplacian-level oftheory, can indeed achieve similar accuracy as non-local functionals and can beaccurate for both metals and semiconductors, without the need ofsystem-dependent parameters.

Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids