A model of dense-plasma atomic structure for equation-of-state calculations

TL;DR

This paper introduces a superconfiguration-based model for dense plasmas that accounts for electron screening and boundary conditions, providing a variational approach for equation-of-state calculations.

Contribution

It develops a novel ion-sphere model incorporating boundary wavefunction effects and offers a variational formulation for quantum-bound and quasi-classical free electrons.

Findings

Boundary wavefunctions significantly influence the Virial theorem and pressure calculations.

The model achieves a variational formulation when treating bound electrons quantum-mechanically.

The approach improves the accuracy of dense plasma equation-of-state modeling.

Abstract

A model of dense plasmas relying on the superconfiguration approximation is presented. In each superconfiguration the nucleus is totally screened by the electrons in a Wigner-Seitz sphere (ion-sphere model). Superconfigurations of the same charge are grouped into ions. It is shown that boundary values of the wavefunctions play a crucial role in the form of the Virial theorem from which the pressure formula is derived. Finally, a condition is presented and discussed, which makes the ion-sphere model variational when bound electrons are treated quantum-mechanically and free electrons quasi-classically.