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Quantum partition functions from classical distributions: Application to rare-gas clusters

Abstract:

Quantum many-body systems were analyzed using classical calculations for the analysis of thermodynamic behavior. One technique was based on the harmonic superposition approximation with explicit quantum oscillators. In the second technique, the classical potential was replaced by effective potentials acconting for quantum corrections of low order. The influence of quantum delocalization on melting and premelting of different Lennard-Jones (LJ) clusters was studied using superposition method. ...

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Publication status:
Published

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Publisher copy:
10.1063/1.1359768

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
114
Issue:
17
Pages:
7312-7329
Publication date:
2001-05-01
DOI:
ISSN:
0021-9606
URN:
uuid:84433198-c77a-4ee8-86b8-fb2d56d98e2a
Source identifiers:
37786
Local pid:
pubs:37786
Language:
English

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