Internal inconsistency of Kohn-Sham equations in density-functional-theory
POSTER
Abstract
The conflict of DFT Kohn-Sham equations with the Ritz variational principle will be demonstrated rigorously. It will be shown that the ground-state charge density of the material is not representable by auxiliary one-electron orbitals of variational character. This inconsistency is also expressed by a charge-sloshing effect in attempt to solve these equations self-consistently. \\[0pt] [1] B.~D.~Obreshkov , submitted to Phys.~Rev.~A (2008).
Authors
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Boyan Obreshkov
Arkansas University, Fayetteville, AR 72701, USA