Sparse grid methods for high dimensional quantum molecular dynamics with large amplitude motions

Yohann Scribano (1) , David Lauvergnat (2) , Lucien Dupuy (1, 3)

1 LUPM - Laboratoire Univers et Particules de Montpellier
2 LCPO - Laboratoire de Chimie Physique D'Orsay
3 Astrophysique Stellaire

I present the recent results obtained for high dimensional eigenvalue problems involving large amplitude motions as ones meet in molecular spectroscopy and reaction dynmics

Domaines: Physique Quantique [quant-ph]; Agrégats Moléculaires et Atomiques [physics.atm-clus]; Physique Numérique [physics.comp-ph]; Chimie-Physique [physics.chem-ph]

Yohann Scribano, David Lauvergnat, Lucien Dupuy. Sparse grid methods for high dimensional quantum molecular dynamics with large amplitude motions. Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems, Jun 2019, Telluride, United States. ⟨hal-02139500⟩