Ultrafast excited state dynamics of the Na3F cluster: Quantum wave packet and classical trajectory calculations compared to experimental results - Archive ouverte HAL
Article Dans Une Revue The Journal of Chemical Physics Année : 2004

Ultrafast excited state dynamics of the Na3F cluster: Quantum wave packet and classical trajectory calculations compared to experimental results

Marie-Catherine Heitz
Fernand Spiegelman
Christoph Meier
  • Fonction : Auteur
  • PersonId : 1365923
R. Mitric
  • Fonction : Auteur

Résumé

Short-time, excited-state dynamics of the lowest isomer of the Na3F cluster is studied theoretically in order to interpret the features of recent time-resolved pump-probe ionization experiments [J. M. L Hermite, V. Blanchet, A. Le Padellec, B. Lamory, and P. Labastie, Eur. Phys. J. D 28, 361 (2004)]. In the present paper, we propose an identification of the vibrational motion responsible for the oscillations in the ion signal, on the basis of quantum mechanical wave packet propagations and classical trajectory calculations. The good agreement between experiment and theory allows for a clear interpretation of the detected dynamics.
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Dates et versions

hal-00003367 , version 1 (26-11-2004)

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Marie-Catherine Heitz, Gérard Durand, Fernand Spiegelman, Christoph Meier, R. Mitric, et al.. Ultrafast excited state dynamics of the Na3F cluster: Quantum wave packet and classical trajectory calculations compared to experimental results. The Journal of Chemical Physics, 2004, 121, pp.9906. ⟨10.1063/1.1802451⟩. ⟨hal-00003367⟩
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