Density functional estimations of Heisenberg exchange constants in oligonuclear magnetic compounds: Assessment of density functional theory versus ab initio

Journal of Chemical Physics

Volumn 131, Issue 22, 2009, Pages

  Zein, Samir ^a   Poor Kalhor, Mahboubeh ^b   Chibotaru, Liviu F ^a   Chermette, Henry ^b  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CONFIGURATION INTERACTIONS; DENSITY FUNCTIONALS; DIAGONALIZATIONS; FUNCTIONALS; GEOMETRICAL DISTRIBUTION; HEISENBERG; HEISENBERG EXCHANGE; HYBRID FUNCTIONALS; HYDROGENIC MODELS; MAGNETIC CENTERS; MAGNETIC COMPOUNDS; MAGNETIC EXCHANGE; MODEL SYSTEM; OVERDETERMINATION; SINGULAR VALUES; STANDARD ERRORS; STATISTICAL STANDARDS; SYSTEM OF EQUATIONS;

REGRESSION ANALYSIS; SINGULAR VALUE DECOMPOSITION;

DENSITY FUNCTIONAL THEORY;

EID: 72449131395     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3264570     Document Type: Article

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