Nonempirical density functionals investigated for jellium: Spin polarized surfaces, spherical clusters, and bulk linear response

  title={Nonempirical density functionals investigated for jellium: Spin polarized surfaces, spherical clusters, and bulk linear response},
  author={Jianmin Tao and John P. Perdew and Luis Miguel Almeida and Carlos Fiolhais and Stephan Kummel},
  journal={Physical Review B},
Earlier tests show that the Tao-Perdew-Staroverov-Scuseria (TPSS) nonempirical meta-generalized gradient approximation (meta-GGA) for the exchange-correlation energy yields more accurate surface energies than the local spin density (LSD) approximation for spin-unpolarized jellium. In this study, work functions and surface energies of a jellium metal in the presence of ``internal'' and external magnetic fields are calculated with LSD, Perdew-Burke-Ernzerhof (PBE) GGA, and TPSS meta-GGA and its… 
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