Résumé
We present in this talk the efficiency of the smolyak sparse grids for the desciption of molecular large amplitude motion. The method is applied to the calculation of the coupled translation-rotation eigenstates of H2 in water clathrate.
- Titre
- A Smolyak sparse-grid scheme for the quantum dynamics of confined molecular hydrogen
- Créateurs - sans rôle
- Yohann Scribano - Université de Montpellier, Laboratoire Univers et Particules de Montpellier - LUPMDavid Lauvergnat - Laboratoire de Chimie Physique
- Colloque
- Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems (Telluride, United States, 17/07/2017–21/07/2017)
- Identifiants
- 9994761909311
- Unité académique
- Laboratoire Univers et Particules de Montpellier - LUPM
- Langue
- English
- Type de ressource
- Conference proceeding
- Champs locaux
- hal-01580148