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

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 crossover to exact asymptotic limits is studied.