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Volumn 66, Issue 16, 2002, Pages 1651171-16511717

Subsystem functionals in density-functional theory: Investigating the exchange energy per particle

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; MATHEMATICAL ANALYSIS; MATHEMATICAL PARAMETERS; MODEL; MONTE CARLO METHOD; THEORY;

EID: 0037109986     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (59)

References (42)
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    • note
    • A correction procedure for such functionals has been proposed in Ref. 17 that takes care of the functional deficiency at surfaces. Similar, cruder procedures have successfully been applied to vacancy formation energies (Ref. 4) and work of adhesion (Ref. 5).
  • 5
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