Evaluation of magnetic terms in Cu4O4 cubane-like systems from selected configuration interaction calculations: A case study of polynuclear transition-metal systems

Journal of Chemical Physics

Volumn 135, Issue 19, 2011, Pages

  Calzado, Carmen J ^a   Maynau, Daniel ^b  

^a UNIVERSITY OF SEVILLE   (Spain)

^b UNIVERSITÉ PAUL SABATIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STRATEGY; CONFIGURATION INTERACTIONS; CONFIGURATION-INTERACTION CALCULATIONS; CU IONS; EXPERIMENTAL DATA; FERRO-MAGNETIC INTERACTIONS; LOCAL ORBITALS; MAGNETIC DATA; MAGNETIC INTERACTIONS; MAGNETIC MODELS; MAGNETIC ORBITALS; MAGNETIC SYSTEM; PHYSICAL EFFECTS; POLYNUCLEAR TRANSITION-METAL COMPLEXES; RELATIVE ORIENTATION; TEMPERATURE CURVES; TRANSITION METAL SYSTEM;

FERROMAGNETIC MATERIALS; FERROMAGNETISM; HEAVY IONS; METAL COMPLEXES; MODELS;

TRANSITION METALS;

EID: 81855180790     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3659141     Document Type: Article

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