Effects of the self-interaction error in Kohn–Sham calculations: A DFT+U case study on penta-aqua uranyl(VI)
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference61 articles.
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2. Self-interaction correction to density-functional approximations for many-electron systems
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5. Comment on “Concerning the applicability of density functional methods to atomic and molecular negative ions” [J. Chem. Phys. 105, 862 (1996)]
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