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The interionic pair potential derived from the measured structure factor S(Q) of liquid Pb at 613 K using the modified hypernetted-chain approximation was tested in the molecular-dynamics simulation and found to be inadequate. It is shown that the same simple model of the potential with three parameters, having been optimized in an iterative procedure involving the large-scale molecular-dynamics simulation, provides a very good fit to the original structure.
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Mikhail Dzugutov (1989) studied this question.
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