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Equilibrium properties of clusters in the harmonic superposition approximation

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 furth...

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Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
CHEMICAL PHYSICS LETTERS
Volume:
366
Issue:
1-2
Pages:
176-183
Publication date:
2002-11-25
DOI:
ISSN:
0009-2614
URN:
uuid:49ef015d-57f7-4dc6-91a0-7e056bf59c33
Source identifiers:
38500
Local pid:
pubs:38500
Language:
English

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