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De l'utilisation des calculs ab initio appliqués à la théorie moléculaire du défaut quantique

Abstract : Molecular multichannel quantum defect theory (MQDT) deals with atomic or molecular states involving an electron in interaction with the ionic core; typically Rydberg or continuum states. Combined with the calculation of transition dipole moments, electronic spectra can be calculated.
Furthermore, the Frame Transformation theory can describe the vibrational and rotational effects of the core on the electron eading to the full rovibrational spectrum.
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https://tel.archives-ouvertes.fr/tel-00310420
Contributor : Romain Guérout <>
Submitted on : Friday, August 8, 2008 - 4:47:17 PM
Last modification on : Wednesday, November 4, 2020 - 9:02:02 PM
Long-term archiving on: : Thursday, June 3, 2010 - 6:09:17 PM

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Romain Guérout. De l'utilisation des calculs ab initio appliqués à la théorie moléculaire du défaut quantique. Autre. Universität Basel, 2004. Français. ⟨tel-00310420⟩

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