Performance of the τ-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators

Journal of Chemical Physics

Volumn 120, Issue 8, 2004, Pages 3811-3816

  Ciofini, Ilaria ^a   Illas, Francesc ^b   Adamo, Carlo ^a  

^a CNRS   (France)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC MATERIALS; APPROXIMATION THEORY; ARRAYS; COMPUTATIONAL METHODS; ELECTRIC INSULATORS; HAMILTONIANS; KINETIC ENERGY; MAGNETIC PROPERTIES; MATHEMATICAL MODELS; POTASSIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

ANTIFERROMAGNETIC INSULATORS; MAGNETIC COUPLING;

MOLECULAR PHYSICS;

EID: 1642617329     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1642592     Document Type: Article

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