Séminaire Laurent Bonnet (ISM Bordeaux) "Quantum molecular predictions from classical paths"

phlam PCMT Séminaire Vie du laboratoire
Salle 172 (P5 Bis)
Laurent Bonnet chercheur CNRS l'ISM de Bordeaux fera un séminaire le lundi 13/06/2022 de 14h30 à 15h30, intitulé : "Quantum molecular predictions from classical paths" The goal of the talk is to show how one may in principle approximate the quantum predictions in gas phase molecular dynamics and spectroscopy by replacing difficult wave propagations with user-friendly trajectory calculations. [1-4]. [1] W. H. Miller, J. Phys. Chem. A 105, 2942 (2001). [2] E. J. Heller, The Semiclassical Way to Dynamics and Spectroscopy (Princeton University Press, 2018). [3] L. Bonnet, J. Chem Phys. 155, 174103 (2021) [4] G. Di Liberto, R. Conte, M. Ceotto, J. Chem Phys. 148, 104302 (2018)

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