Accurate ab initio potential energy curves and spectroscopic properties of the four lowest singlet states of C2

Theoretical Chemistry Accounts

Volumn 133, Issue 2, 2014, Pages 1-12

  Boschen, Jeffery S ^a   Theis, Daniel ^a   Ruedenberg, Klaus ^a   Windus, Theresa L ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

Ab initio electronic structure; Configuration interaction; Diatomic carbon; Dissociation; Multi configurational wave functions; Spectroscopic properties

Indexed keywords

EID: 84897584099     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-013-1425-x     Document Type: Article

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