Journal article

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. Debye temperature and size variation of argon clusters were also estimated.

Publication status:: Published

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APA Style

Calvo, F., Doye, J., & Wales, D. (2001). Quantum partition functions from classical distributions: Application to rare-gas clusters. JOURNAL OF CHEMICAL PHYSICS, 114(17), 7312–7329.

MLA Style

Calvo, F., et al. “Quantum Partition Functions from Classical Distributions: Application to Rare-Gas Clusters.” JOURNAL OF CHEMICAL PHYSICS, vol. 114, no. 17, 2001, pp. 7312–29.

Chicago Style

Calvo, F, J Doye, and D Wales. 2001. “Quantum Partition Functions from Classical Distributions: Application to Rare-Gas Clusters.” JOURNAL OF CHEMICAL PHYSICS 114 (17): 7312–29.
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Publisher copy:: 10.1063/1.1359768

Authors

+ Calvo, F More by this author

Role:: Author

+ Doye, J More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

+ Wales, D More by this author

Role:: Author

Journal:: JOURNAL OF CHEMICAL PHYSICS More from this journal
Volume:: 114
Issue:: 17
Pages:: 7312-7329
Publication date:: 2001-05-01
DOI:: 10.1063/1.1359768
ISSN:: 0021-9606

Language:: English
Pubs id:: pubs:37786
UUID:: uuid:84433198-c77a-4ee8-86b8-fb2d56d98e2a
Local pid:: pubs:37786
Source identifiers:: 37786
Deposit date:: 2012-12-19

Terms of use

Copyright date:: 2001

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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