Remarks on the proper use of the broken symmetry approach to magnetic coupling

Journal of Physical Chemistry A

Volumn 101, Issue 42, 1997, Pages 7860-7866

  Caballol, R ^a   Castell, O ^a   Illas, F ^b   Moreira, I D P R ^b   Malrieu, J P ^c  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c European Theoretical Spectroscopy Facility   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; MAGNETIC FIELD EFFECTS; MATHEMATICAL MODELS;

BROKEN SYMMETRY APPROACH; DENSITY FUNCTIONAL THEORY; HARTREE FOCK METHOD; MAGNETIC COUPLING CONSTANTS; MAGNETIC ORBITAL DELOCALIZATION;

ELECTRONIC STRUCTURE;

EID: 0031249321     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9711757     Document Type: Article

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