Quantum dynamics with sparse grids: A combination of Smolyak scheme and cubature. Application to methanol in full dimensionality

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 119, Issue , 2014, Pages 18-25

  Lauvergnat, David ^a   Nauts, André ^a,b  

^a UNIVERSITÉ PARIS SUD   (France)

^b UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

Author keywords

Cubature; Methanol; Smolyak; Sparse grid; Vibrational spectroscopy

Indexed keywords

CUBATURE; DYNAMICAL APPROACHES; MOLECULAR SYSTEMS; MULTI-DIMENSIONAL GRIDS; POLYATOMIC MOLECULES; SMOLYAK; SPARSE GRID; TORSIONAL ENERGIES;

QUANTUM THEORY; VIBRATIONAL SPECTROSCOPY;

METHANOL;

METHANOL;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CUBATURE; QUANTUM THEORY; SMOLYAK; SPARSE GRID; VIBRATIONAL SPECTROSCOPY;

CUBATURE; METHANOL; SMOLYAK; SPARSE GRID; VIBRATIONAL SPECTROSCOPY;

ALGORITHMS; METHANOL; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 84888303938     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.05.068     Document Type: Article

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