Effective Pair Interactions and Structure in Liquid Noble Metals within Wills-Harrison and Bretonnet-Silbert Models
Keyword(s):
Recently, for calculating the effective pair interactions in liquid transition metals, we have developed an approach which includes the Wills-Harrison and Bretonnet-Silbert models as limit cases. Here, we apply this approach to noble liquid metals. The dependencies of pair potentials and corresponding MD-simulated pair correlation functions in pure liquid Cu, Ag and Au on the portion of the non-diagonal (with respect to the magnet quantum number) d-d-electron couplings in the metal under consideration are studied. The model provides a good agreement with experimental and ab initio data for pair correlation functions, structure factors and velocity autocorrelation functions.
Keyword(s):
1985 ◽
Vol 128
(2)
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pp. 419-423
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Keyword(s):
2015 ◽
Vol 412
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pp. 66-71
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1979 ◽
Vol 70
(7)
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pp. 3165-3170
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1981 ◽
Vol 124
(1)
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pp. 33-43
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2006 ◽
Vol 37
(8)
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pp. 2379-2387
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