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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…
Wetting to Non-wetting Transition in Sodium-Coated C_60
J. Roques, F. Calvo, F. Spiegelman +1
Based on ab initi and density-functional theory calculations, an empirical potential is proposed to model the interaction between a fullerene molecule and many sodium atoms. This m…