Jung, J, Garcia-Gonzalez, P, Alvarellos, J E and Godby, R W (2004) Assessment of density-functional approximations: Long-range correlations and self-interaction effects. Physical Review A. 052501. -. ISSN 1050-2947Full text available as:
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.
|Copyright, Publisher and Additional Information:||© 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|
|Academic Units:||The University of York > Physics (York)|
|Depositing User:||Physics Import|
|Date Deposited:||19 Aug 2008 15:37|
|Last Modified:||17 Oct 2013 14:26|