Carbon ionization from a quantum average-atom model up to gigabar pressures

Phys Rev E. 2021 Aug;104(2-2):025209. doi: 10.1103/PhysRevE.104.025209.

Abstract

We use a nonrelativistic average-atom model to calculate carbon ionization at megabar and gigabar pressures. The pressure is calculated using the stress-tensor method. The electronic electrical conductivity is also considered using the Kubo-Greenwood approach. Comparisons are made with quantum molecular dynamic simulations. A good agreement is obtained for the pressure between the average-atom model and the quantum molecular dynamic simulations in the regime of gigabar pressures. However, the discrepancy already seen with the PURGATORIO code for the average ionization deduced from the quantum molecular dynamic simulations is also observed here with the present average-atom model. Excellent agreement with the PURGATORIO code is found for the average ionization.