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Functionals: Meta Generalized Gradient Approximation

A meta-GGA functional uses the Laplacian (second derivative) of the density or the kinetic energy density in addition to the density and the magnitude of the gradient of the density.

  • TPSS: Climbing the Density Functional Ladder: Nonempirical Meta-Generalized Gradient Approximation Designed for Molecules and Solids
    J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria
    Phys. Rev. Lett. 91 146401 (2003) (subscription needed).

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Maintained by: Ann Mattsson
Modified on: December 15, 2014