A-VCI: A flexible method to efficiently compute vibrational spectra

Journal of Chemical Physics

Volumn 146, Issue 21, 2017, Pages

  Odunlami, Marc ^a   Le Bris, Vincent ^a   Bégué, Didier ^a   Baraille, Isabelle ^a   Coulaud, Olivier ^b  

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

^b INRIA   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ETHYLENE; HAMILTONIANS; MATHEMATICAL OPERATORS; MOLECULES; QUANTUM CHEMISTRY;

ACCURATE COMPUTATIONS; BASIS FUNCTIONS; DISCRETIZATIONS; ETHYLENE OXIDES; HAMILTONIAN OPERATORS; NEW PARAMETERS; SUM OF PRODUCTS; VIBRATIONAL CONFIGURATION-INTERACTION;

VIBRATIONAL SPECTRA;

EID: 85020467345     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4984266     Document Type: Article

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