Anharmonic treatment of vibrational resonance polyads-the diborane: A critical case for numerical methods

Theoretical Chemistry Accounts

Volumn 131, Issue 3, 2012, Pages 1-11

  Begue, Didier ^a   Pouchan, Claude ^a   Guillemin, Jean Claude ^b   Benidar, Abdessamad ^c  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^b UNIV RENNES   (France)

^c UNIVERSITÉ DE RENNES 1   (France)

Author keywords

Diborane; Mechanical and electrical anharmonicities; Resolution of the vibrational Schr dinger equation; Resonance polyads; Variational approach

Indexed keywords

EID: 84857022351     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1122-1     Document Type: Article

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