Bridge functions of classical one-component plasmas

TL;DR

This paper details the extraction and parametrization of bridge functions in classical one-component plasmas, significantly improving the accuracy of theoretical predictions for dense Yukawa liquids.

Contribution

It introduces a refined extraction technique and parametrization strategy for bridge functions, enhancing the integral equation theory's predictive accuracy.

Findings

Unprecedented accuracy in structural predictions of dense Yukawa liquids

Effective incorporation of bridge functions into the isomorph-based approach

Close agreement with extensive simulation results

Abstract

In a recent paper, Lucco Castello et al. [arXiv:2107.03537] performed systematic extractions of classical one-component plasma bridge functions from molecular dynamics simulations and provided an accurate parametrization that was incorporated in the novel isomorph-based empirically modified hypernetted chain approach for Yukawa one-component plasmas. Here, the extraction technique and parametrization strategy are described in detail, while the deficiencies of earlier efforts are discussed. The structural and thermodynamic predictions of the updated version of the integral equation theory approach are compared with extensive available simulation results revealing a truly unprecedented level of accuracy in the entire dense liquid region of the Yukawa phase diagram.