%0 Journal Article
%T Semilocal and Hybrid Meta-Generalized Gradient Approximations Based on the Understanding of the Kinetic-Energy-Density Dependence
%A Jianwei Sun
%A Robin Haunschild
%A Bing Xiao
%A Ireneusz W. Bulik
%A Gustavo E. Scuseria
%A John P. Perdew
%J Physics
%D 2013
%I arXiv
%R 10.1063/1.4789414
%X We present a global hybrid meta-generalized gradient approximation (meta-GGA) with three empirical parameters, as well as its underlying semilocal meta-GGA and a meta-GGA with only one empirical parameter. All of them are based on the new meta-GGA resulting from the understanding of kinetic-energy-density dependence [J. Chem. Phys. 137, 051101 (2012)]. The obtained functionals show robust performances on the considered molecular systems for the properties of heats of formation, barrier heights, and noncovalent interactions. The pair-wise additive dispersion corrections to the functionals are also presented.
%U http://arxiv.org/abs/1301.2239v1