Ion modes in dense ionized plasmas through nonadiabatic molecular dynamics

Abstract

We perform non-adiabatic simulations of warm dense aluminum based on the electron-force field (EFF) variant of wave-packet molecular dynamics. Comparison of the static ion-ion structure factor with density functional theory is used to validate the technique across a range of temperatures and densities spanning the warm dense matter regime. Differences in the dynamic structure factor and dispersion relation between adiabatic and non-adiabatic techniques suggest that the explicit inclusion of electrons is necessary to fully capture the low frequency dynamics of the response function.