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most citedRestoring the density-gradient expansion for exchange in solids and surfaces

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physics.chem-ph2013★ 191 cited

Semilocal and Hybrid Meta-Generalized Gradient Approximations Based on the Understanding of the Kinetic-Energy-Density Dependence

Jianwei Sun, Robin Haunschild, Bing Xiao +3

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…