How accurate are electronic structure methods for actinoid chemistry?

Theoretical Chemistry Accounts

Volumn 129, Issue 3-5, 2011, Pages 657-666

  Averkiev, Boris B ^a   Mantina, Manjeera ^a   Valero, Rosendo ^a   Infante, Ivan ^b   Kovacs, Attila ^c,d   Truhlar, Donald G ^a   Gagliardi, Laura ^a  

^a University of Minnesota   (United States)

^b DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^c JOINT RESEARCH CENTRE   (Italy)

^d BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

Actinoids; CASPT2; CASSCF; Density functional theory; Electronic structure

Indexed keywords

EID: 79955933974     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-0913-0     Document Type: Article

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