Reply to "Comment on `Electron removal energies in Kohn-Sham density-functional theory' "
- 15 September 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 30 (6) , 3525-3526
- https://doi.org/10.1103/physrevb.30.3525
Abstract
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.Keywords
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