Modeling properties of molecules with open d-shells using density functional theory

Comptes Rendus Chimie

Volumn 8, Issue 9-10 SPEC. ISS., 2005, Pages 1421-1433

  Atanasov, Mihail ^a,b   Daul, Claude A ^a  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Density functional theory; Ligand field theory; Magnetic exchange coupling; Spin orbit coupling; Zero field splitting

Indexed keywords

EID: 26944459205     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crci.2005.04.003     Document Type: Short Survey

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