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
Link To Document :
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