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

TL;DR

This paper compares advanced integral equation closures for dense Yukawa plasma liquids, finding the isomorph-based modified hypernetted-chain approach most accurate and efficient for structural and thermodynamic predictions.

Contribution

It introduces a comparative analysis of several advanced bridge function closures, highlighting the isomorph-based modified hypernetted-chain as the most promising method.

Findings

Isomorph-based MHC approach is most accurate and computationally efficient.

Modified hypernetted-chain approaches outperform other closures.

Further improvements possible via artificial cross-over to asymptotic limits.

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.