The Global Optimization of Pt{sub 13} Cluster Using the First-Principle Molecular Dynamics with the...
The Global Optimization of Pt{sub 13} Cluster Using the First-Principle Molecular Dynamics with the Quenching Technique
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Publisher
United States
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Language
English
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United States
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Contents
The high-temperature first-principle molecular dynamics method used to obtain the low energy configurations of clusters [L. L. Wang and D. D. Johnson, PRB 75, 235405 (2007)] is extended to a considerably large temperature range by combination with the quenching technique. Our results show that there are strong correlations between the possibilities...
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Full title
The Global Optimization of Pt{sub 13} Cluster Using the First-Principle Molecular Dynamics with the Quenching Technique
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TN_cdi_osti_scitechconnect_22783899
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_osti_scitechconnect_22783899
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ISSN
0022-4715
E-ISSN
1572-9613
DOI
10.1007/S10955-018-2003-3
