The calculation of ESR parameters by density functional theory: The g- and A-tensors of Co(acacen)

Chemical Physics Letters

Volumn 399, Issue 4-6, 2004, Pages 433-439

  Atanasov, Mihail ^a,b   Jan Baerends, Evert ^c   Baettig, Pio ^a   Bruyndonckx, Raf ^a   Daul, Claude ^a   Rauzy, Cédrick ^a   Zbiri, Mohamed ^a  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND FIELD (LF) MODEL; LIGAND FIELD SPLITTING; MULTIPLET STRUCTURES;

ANISOTROPY; DATA ACQUISITION; PROBABILITY DENSITY FUNCTION; TENSORS; ULTRAVIOLET RADIATION;

PARAMAGNETIC RESONANCE;

ANISOTROPY; ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; STRUCTURE ANALYSIS; ULTRAVIOLET RADIATION;

EID: 10944225427     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.10.041     Document Type: Article

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