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Théorie des Perturbations Canonique et Dynamique Moléculaire Non-Linéaire

Abstract : Canonical Perturbation theory is a powerful tool in the field of molecular physics. It consists of a series of canonical transformations (or unitary ones in quantum mechanics), which are aimed at rewriting the hamiltonian in a simpler form without modifying the dynamics of the molecule. Until recently, however, explicit high order calculation schemes have been known only for motion around a single minimum, so that only rigid molecules moving on an uncoupled Born-Oppenheimer electronic surface could be investigated. In order to overcome the restrictive hypothesis of this formalism, we have derived two modified versions of canonical perturbation theory, the first one applies to floppy systems with several equilibrium positions and the second one to nonadiabatic dynamics.
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https://tel.archives-ouvertes.fr/tel-00005074
Contributor : Dominique Sugny <>
Submitted on : Wednesday, February 25, 2004 - 9:24:56 AM
Last modification on : Tuesday, September 11, 2018 - 11:00:02 AM
Long-term archiving on: : Friday, April 2, 2010 - 8:55:20 PM

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  • HAL Id : tel-00005074, version 1

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Dominique Sugny. Théorie des Perturbations Canonique et Dynamique Moléculaire Non-Linéaire. Physique Atomique [physics.atom-ph]. Université Joseph-Fourier - Grenoble I, 2002. Français. ⟨tel-00005074⟩

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