Microfield distributions from pseudoatom MD and real-space structures for KKR Green's functions

Spectroscopic lines broaden and shift in dense plasma environments. Models of these line shapes inform experimental measurements of plasma temperature, density, and ionization. We have (i) investigated the missing plasma physics in the widely-used adjustable parameter exponential approximation method at low temperatures via comparison to microfield distribution calculations from pseudoatom molecular dynamics. In addition, we have (ii) developed novel real space structures for multiple scattering Green's functions and have optimized the KKR electronic structure method, suitable for calculating line shapes in plasma, over complex structures.