Abstract
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.
Original language | English |
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Article number | 052501 |
Pages (from-to) | - |
Number of pages | 7 |
Journal | Physical Review A |
Volume | 69 |
Issue number | 5 |
DOIs | |
Publication status | Published - May 2004 |
Bibliographical note
© 2004 American Physical Society. This is an author produced version of a paper published in Physical Review A. Uploaded in accordance with the publisher's self archiving policy.Keywords
- GENERALIZED GRADIENT APPROXIMATION
- ELECTRON-GAS
- ACCURATE
- ENERGY