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Article Dans Une Revue Journal of Chemical Physics Année : 2012

Quantum dynamics of solid Ne upon photo-excitation of a NO impurity: A Gaussian wave packet approach

Résumé

A high-dimensional quantum wave packet approach based on Gaussian wave packets in Cartesian coordinates is presented. In this method, the high-dimensional wave packet is expressed as a product of time-dependent complex Gaussian functions, which describe the motion of individual atoms. It is applied to the ultrafast geometrical rearrangement dynamics of NO doped cryogenic Ne matrices after femtosecond laser pulse excitation. The static deformation of the solid due to the impurity as well as the dynamical response after femtosecond excitation are analyzed and compared to reduced dimensionality studies. The advantages and limitations of this method are analyzed in the perspective of future applications to other quantum solids.
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Dates et versions

hal-00933153 , version 1 (20-01-2014)

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Wesley Unn-Toc, Llinersy Uranga-Piña, Christoph Meier, Nadine Halberstadt, Jesus Rubayo-Soneira. Quantum dynamics of solid Ne upon photo-excitation of a NO impurity: A Gaussian wave packet approach. Journal of Chemical Physics, 2012, 137 (5), pp.054112. ⟨10.1063/1.4739754⟩. ⟨hal-00933153⟩
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