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Self-Interaction Errors in Density-Functional Calculations of Electronic Transport

✍ Scribed by Toher, C.; Filippetti, A.; Sanvito, S.; Burke, Kieron

Book ID
120137398
Publisher
The American Physical Society
Year
2005
Tongue
English
Weight
259 KB
Volume
95
Category
Article
ISSN
0031-9007

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πŸ“œ SIMILAR VOLUMES

Novel method of self-interaction correct
Novel method of self-interaction corrections in density functional calculations
✍ Urban Lundin; Olle Eriksson πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 160 KB πŸ‘ 2 views

It is demonstrated that the commonly applied self-interaction correction (SIC) used in density functional theory does not remove all self-interaction. We present as an alternative a novel method that, by construction, is totally free from self-interaction. The method has the correct asymptotic 1/r d