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
- 77Citations
- 9Captures
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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.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0001532752&origin=inward; http://dx.doi.org/10.1103/physrevb.57.4857; https://link.aps.org/doi/10.1103/PhysRevB.57.4857; http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.57.4857/fulltext; http://link.aps.org/article/10.1103/PhysRevB.57.4857
American Physical Society (APS)
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