Phys. Rev. A 69, 052501 (2004) [7 pages]Assessment of density-functional approximations: Long-range correlationsand self-interaction effectsReceived 10 December 2003; published 4 May 2004 The complex nature of electron-electron correlations is made manifest in the very simple but nontrivial problem of two electrons confined within a sphere. The description of highly nonlocal correlation and self-interaction effects by widely used local and semilocal exchange-correlation energy density functionals is shown to be unsatisfactory in most cases. Even the best such functionals exhibit significant errors in the Kohn-Sham potentials and density profiles. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevA.69.052501
DOI:
10.1103/PhysRevA.69.052501
PACS:
31.15.Ew, 31.25.−v, 71.15.Mb
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