Title of article
Equilibrium properties of clusters in the harmonic superposition approximation
Author/Authors
Calvo، نويسنده , , F and Doye، نويسنده , , J.P.K and Wales، نويسنده , , D.J، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
8
From page
176
To page
183
Abstract
The inherent structure approach, or superposition approach is used to calculate some physical and chemical properties of clusters in thermodynamic equilibrium, for both the classical and quantum regimes. In the harmonic approximation some simple analytical estimates are obtained for the average polarizability of metal clusters, and for the photoabsorption intensity of chromophore-doped van der Waals clusters. Comparison with Monte Carlo simulations reveals good agreement, which could be further improved using systematic corrections for anharmonic perturbations.
Journal title
Chemical Physics Letters
Serial Year
2002
Journal title
Chemical Physics Letters
Record number
1782441
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