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Achieving linear scaling in exchange-correlation density functional quadratures

โœ Scribed by R.Eric Stratmann; Gustavo E. Scuseria; Michael J. Frisch


Book ID
107736571
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
971 KB
Volume
257
Category
Article
ISSN
0009-2614

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Several different versions of density functional theory (DFT) that satisfy Hohenberg-Kohn theorems are characterized by different definitions of a reference or model state determined by an N-electron ground state. A common formalism is developed in which exact Kohn-Sham equations are derived for sta