319 citations · 1.5k across the 18 of their papers we have counts for
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Melting of the Au20 gold cluster : does charge matter?
Mathias Rapacioli, Nathalie Tarrat, Fernand Spiegelman
We investigate the dependence upon charge of the heat capacities of the magic gold cluster Au20 obtained from density functional based tight binding theory within parallel temperin…
Size effect in the ionization energy of PAH clusters
C. Joblin, L. Dontot, G. A. Garcia +6
We report the first experimental measurement of the near-threshold photo-ionization spectra of polycyclic aromatic hydrocarbon clusters made of pyrene C16H10 and coronene C24H12, o…
Stacked clusters of polycyclic aromatic hydrocarbon molecules
M. Rapacioli, F. Calvo, F. Spiegelman +2
Clusters of polycyclic aromatic hydrocarbon (PAH) molecules are modelled using explicit all-atom potentials using a rigid body approximation. The PAH's considered range from pyrene…
Theoretical study of the finite temperature spectroscopy in van der Waals clusters. III Solvated Chromophore as an effective diatomics
F. Calvo, F. Spiegelman, J. M. Mestdagh
The absorption spectroscopy of calcium-doped argon clusters is described in terms of an effective diatomics molecule Ca-(Ar_n), in the framework of semiclassical vertical transitio…
Theoretical study of finite temperature spectroscopy in van der Waals clusters. II Time-dependent absorption spectra
F. Calvo, F. Spiegelman, D. J. Wales
Using approximate partition functions and a master equation approach, we investigate the statistical relaxation toward equilibrium in selected CaAr clusters. The Gaussian theor…
Theoretical study of finite temperature spectroscopy in van der Waals clusters. I. Probing phase changes in CaAr_n
F. Calvo, F. Spiegelman, M. C. Heitz
The photoabsorption spectra of calcium-doped argon clusters CaAr_n are investigated at thermal equilibrium using a variety of theoretical and numerical tools. The influence of temp…