Effect of structure and size on the excited states dynamics of CaArn clusters

  • Jose J. Plata
  • Marie-Catherine Heitz
  • Fernand SpiegelmanEmail author
Regular Article
Part of the following topical collections:
  1. Topical issue: ISSPIC 16 - 16th International Symposium on Small Particles and Inorganic Clusters


The time-resolved photoelectron spectra, probing the non-adiabatic dynamics of CaAr n clusters excited by a pump pulse in the vicinity of the 4s4p   1P line of calcium, are simulated. The simulations involve Diatomics-In-Molecules modelling of the excited electronic structure, excited states dynamics with electronic transitions, and classical approximations to derive the time-resolved photoelectron spectra. The oscillations in the time-dependence of the spectra, associated with the relative motion of calcium with respect to the argon cluster, and the corresponding nonadiabatic relaxation processes are analysed according to cluster size (n ≈ 55 and 147), structure (icosahedral versus cuboctahedral shape) and local environment (substitution versus surface deposition of calcium, surface type).


Pump Pulse Probe Pulse Electronic Ground State Electronic Excited State Potential Energy Curve 
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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2013

Authors and Affiliations

  • Jose J. Plata
    • 1
  • Marie-Catherine Heitz
    • 2
  • Fernand Spiegelman
    • 2
    Email author
  1. 1.Departamento de Química Física, Facultad de Química, Universidad de SevillaSevillaSpain
  2. 2.Laboratoire de Chimie et de Physique Quantique/IRSAMC, CNRS and Université de Toulouse (UPS)ToulouseFrance

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