Quantifying the effects of the self-interaction error in DFT: When do the delocalized states appear?
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1926277
Reference44 articles.
1. Self-interaction correction to density-functional approximations for many-electron systems
2. Comment on “Significance of the highest occupied Kohn-Sham eigenvalue”
3. A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons
4. Electron correlation and the self-interaction error of density functional theory
5. Incorrect Dissociation Behavior of Radical Ions in Density Functional Calculations
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