%0 Conference Paper
%F Oral 
%T A Smolyak sparse-grid scheme for the quantum dynamics of confined molecular hydrogen
%+ Laboratoire Univers et Particules de Montpellier (LUPM)
%+ Laboratoire de Chimie Physique D'Orsay (LCPO)
%A Scribano, Yohann
%A Lauvergnat, David
%F Invité
%< sans comité de lecture
%Z LUPM:17-015
%B Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems
%C Telluride, United States
%8 2017-07-17
%D 2017
%Z Physics [physics]/Quantum Physics [quant-ph]
%Z Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus]
%Z Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph]
%Z Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]Conference papers
%X 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.
%G English
%L hal-01580148
%U https://hal.science/hal-01580148
%~ IN2P3
%~ CNRS
%~ UNIV-PSUD
%~ LUPM
%~ INC-CNRS
%~ UNIV-PARIS-SACLAY
%~ UNIV-PSUD-SACLAY
%~ UNIV-MONTPELLIER
%~ LUPM_AS
%~ TEST-HALCNRS
%~ INSTITUT-SCIENCES-LUMIERE
%~ UM-2015-2021
%~ TEST2-HALCNRS
%~ ICPO