Multiple Scattering Theory for Dense Plasmas

TL;DR

This paper evaluates the KKR-GF method for modeling dense plasmas, demonstrating its accuracy in predicting equations of state and computational efficiency across temperatures, without relying on pseudopotentials.

Contribution

It introduces and validates the KKR-GF method as an effective tool for dense plasma simulation, highlighting its advantages over existing approaches.

Findings

Predicts equation of state accurately compared to other methods.

Computational cost remains stable across temperature ranges.

Does not require pseudopotentials, calculating core states self-consistently.

Abstract

Dense plasmas occur in stars, giant planets and in inertial fusion experiments. Accurate modeling of the electronic structure of these plasmas allows for prediction of material properties that can in turn be used to simulate these astrophysical objects and terrestrial experiments. But modeling them remains a challenge. Here we explore the Korringa-Kohn-Rostoker Green's function (KKR-GF) method for this purpose. We find that it is able to predict equation of state in good agreement with other state of the art methods, where they are accurate and viable. In addition, it is shown that the computational cost does not significantly change with temperature, in contrast with other approaches. Moreover, the method does not use pseudopotentials - core states are calculated self consistently. We conclude that KKR-GF is a very promising method for dense plasma simulation.