Validity and interpretation of hund's multiplicity rule for molecules: A density functional study

Journal of Theoretical and Computational Chemistry

Volumn 4, Issue 3, 2005, Pages 833-847

  Zhong, Aiguo ^a   Liu, Shubin ^b,c  

^a TAIZHOU UNIVERSITY   (China)

^b UNIVERSITY OF NORTH CAROLINA   (United States)

^c HUNAN NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Highest occupied molecular orbital; Hund's rule

Indexed keywords

EID: 24344461847     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633605001878     Document Type: Article

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