Magnetic coupling in biradicals, binuclear complexes and wide-gap insulators: A survey of ab initio wave function and density functional theory approaches

Theoretical Chemistry Accounts

Volumn 104, Issue 3-4, 2000, Pages 265-272

  Illas, Francesc ^a   De P R Moreira, Ibério ^a   De Graaf, Coen ^a   Barone, Vincenzo ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

Broken symmetry approach; DDCI; DFT; Magnetic coupling; UHF

Indexed keywords

EID: 0040808957     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140000133     Document Type: Article

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