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arXiv · 2006.11553

On the advanced integral equation theory description of dense Yukawa one-component plasma liquids

F. Lucco Castello·P. Tolias
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Abstract

Different advanced bridge function closures are utilized to investigate the structural and thermodynamic properties of dense Yukawa one-component plasma liquids within the framework of integral equation theory. The isomorph-based empirically modified hypernetted-chain, the variational modified hypernetted-chain, the Rogers-Young and the Ballone-Pastore-Galli-Gazzillo approaches are compared at the level of thermodynamic properties, radial distribution functions and bridge functions. The comparison, based on accuracy and computational speed, concludes that the two modified hypernetted-chain approaches are superior and singles out the isomorph-based variant as the most promising alternative to computer simulations of structural properties of dense Yukawa liquids. The possibility of further improvement through artificial cross-over to exact asymptotic limits is studied.

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F. Lucco Castello, P. Tolias. 2020-07-20. On the advanced integral equation theory description of dense Yukawa one-component plasma liquids. https://doi.org/10.1002/ctpp.202000105

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