Time propagation of constrained coupled Gaussian wave packets

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dc.creatorFabcic, T.
dc.creatorMain, J.
dc.creatorWunner, G.
dc.date2007-11-14
dc.date.accessioned2026-07-07T08:57:24Z
dc.date.available2026-07-07T08:57:24Z
dc.descriptionThe dynamics of quantum systems can be approximated by the time propagation of Gaussian wave packets. Applying a time dependent variational principle, the time evolution of the parameters of the coupled Gaussian wave packets can be calculated from a set of ordinary differential equations. Unfortunately, the set of equations is ill-behaved in most practical applications, depending on the number of propagated Gaussian wave packets, and methods for regularization are needed. We present a general method for regularization based on applying adequate nonholonomic inequality constraints to the evolution of the parameters, keeping the equations of motion well-behaved. The power of the method is demonstrated for a non-integrable system with two degrees of freedom.
dc.description8 pages, 3 figures, accepted for publication in J. Chem. Phys
dc.identifierhttps://arxiv.org/abs/0711.2217
dc.identifierhttp://arxiv.org/abs/0711.2217
dc.identifierJ. Chem. Phys. 128 (2008) 044116
dc.identifierdoi:10.1063/1.2821751
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/146956
dc.subjectQuantum Physics
dc.titleTime propagation of constrained coupled Gaussian wave packets
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