From angle-action to Cartesian coordinates: A key transformation for molecular dynamics

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dc.creatorGonzález-Martínez, M. L.
dc.creatorBonnet, L.
dc.creatorLarrégaray, P.
dc.creatorRayez, J. -C.
dc.creatorRubayo-Soneira, J.
dc.date2008-11-04
dc.date.accessioned2026-07-07T12:55:55Z
dc.date.available2026-07-07T12:55:55Z
dc.descriptionThe transformation from angle-action variables to Cartesian coordinates is a crucial step of the (semi) classical description of bimolecular collisions and photo-fragmentations. The basic reason is that dynamical conditions corresponding to experiments are ideally generated in angle-action variables whereas the classical equations of motion are ideally solved in Cartesian coordinates by standard numerical approaches. To our knowledge, the previous transformation is available in the literature only for triatomic systems. The goal of the present work is to derive it for polyatomic ones.
dc.description10 pages, 11 figures, submitted to J. Chem. Phys
dc.identifierhttps://arxiv.org/abs/0811.0546
dc.identifierhttp://arxiv.org/abs/0811.0546
dc.identifierJ. Chem. Phys. 130, 114103 (2009)
dc.identifierdoi:10.1063/1.3089602
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/224413
dc.subjectChemical Physics
dc.subjectAtomic Physics
dc.titleFrom angle-action to Cartesian coordinates: A key transformation for molecular dynamics
dc.typetext

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