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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…
Density effects in a bulk binary Lennard-Jones system
Javier Hernandez-Rojas, David J. Wales
Properties of local minima as a function of density are studied in a binary Lennard-Jones system for kinetic equipartition temperatures (normal liquid), 0.5 (supercooled li…
The favoured cluster structures of model glass formers
Jonathan P. K. Doye, David J. Wales, Fredrik H. M. Zetterling +1
We examine the favoured cluster structures for two new potentials, which both behave as monatomic model glass-formers in bulk. We find that the oscillations in the interatomic pote…