Phys. Rev. B 30, 3525–3526 (1984)Reply to "Comment on `Electron removal energies in Kohn-Sham density-functional theory' "Received 7 July 1983; published in the issue dated 15 September 1984 A local Kohn-Sham potential can be constructed explicitly either in the "exchange-only" density-functional theory of Talman, which does not constrain the density to its Hartree-Fock value, or in the "Hartree-Fock" density-functional theory of von Barth, which does. The Kohn-Sham orbital energies are essentially the same by either choice, as shown here for the beryllium atom. Our conclusion still stands that the exact Kohn-Sham orbital energies for tightly bound electrons are not physical removal energies. © 1984 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.30.3525
DOI:
10.1103/PhysRevB.30.3525
PACS:
See AlsoOriginal Article: John P. Perdew and Michael R. Norman, Electron removal energies in Kohn-Sham density-functional theory, Phys. Rev. B 26, 5445 (1982). |
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