|A Smolyak sparse-grid scheme for the quantum dynamics of confined molecular hydrogen |
Auteur(s): Scribano Y., Lauvergnat David
Conférence invité: Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems (Telluride, US, 2017-07-17)
Ref HAL: hal-01580148_v1
Exporter : BibTex
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.