The self-interaction error and the description of non-dynamic electron correlation in density functional theory
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00214-009-0545-9.pdf
Reference86 articles.
1. Hohenberg P, Kohn W (1964) Phys Rev 136:B864–B871
2. Kohn W, Sham LJ (1965) Phys Rev 140:A1133–A1138
3. Slater J (1951) Phys Rev 81:385–390
4. Becke AD (1988) Phys Rev A 38:3098–3100
5. Perdew JP (1991) Electronic structure of solids 91. In: Ziesche P, Eschrig H (eds) Akademie-Verlag, Berlin, pp 11–20
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