An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules

Theoretical Chemistry Accounts

Volumn 123, Issue 5-6, 2009, Pages 413-429

  Sparta, Manuel ^a   Toffoli, Daniele ^a   Christiansen, Ove ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

Adaptive density guided approach; Grid construction; Potential energy surfaces; Vibration; Vibrational self consistent field

Indexed keywords

EID: 85098410413     PISSN: 1432881X     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/s00214-009-0532-1     Document Type: Article

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