Abstract
With an improvement of the superposition approximation in the Born-Green integral equation recently proposed an attempt is made to extract new effective pair potentials from structure factors of simple liquids. The improvement is obtained by taking the first three terms of a hard-core density expansion of the triplet correlation function. The method of calculation is based on the solution of the integral equation in k-space. It is shown that the resulting potential of the improved Born-Green equation from a hard-core structure factor actually is hard-core like contrary to the Born-Green result. From measured structure factors of some simple liquid metals (Na-100°C, Al-670°C and Ni-1600°C) pair potentials are determined. With this application a significant improvement over the Born-Green theory can be achieved. In comparison to the old discrepancy between the Born-Green equation and theoretical models the results agree very well with theoretical calculations in the repulsive range of the potential.
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Suda, M. New pair potentials from an improved born-green integral equation: Application to liquid metals. Z. Physik B - Condensed Matter 50, 1–7 (1983). https://doi.org/10.1007/BF01307219
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DOI: https://doi.org/10.1007/BF01307219