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Nonlocal symmetrized kinetic-energy density functional: Application to simple surfaces

Physical Review B - Condensed Matter and Materials Physics, ISSN: 1550-235X, Vol: 57, Issue: 8, Page: 4857-4862
1998
  • 77
    Citations
  • 0
    Usage
  • 9
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    77
    • Citation Indexes
      77
  • Captures
    9

Article Description

We study the properties of a nonlocal kinetic-energy functional, which includes a nonspherical average of the density through a symmetrization procedure. We demonstrate that this functional can be used successfully for both localized and extended systems. In particular, when applied to metallic jellium surfaces, the density profiles, surface energies, work functions, and image plane positions compare very favorably to those obtained using the exact Kohn-Sham method. © 1998 The American Physical Society.

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