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. 2022 Nov 16;13:6780. doi: 10.1038/s41467-022-34618-6

Table 1.

Comparisons of free-electron density (ne), average ionization ZCu* and 2p-population (f2p) of Cu in warm-/hot-dense plasmas

Models kT = 200 eV kT = 300 eV
ne (cm−3) ZCu* f2p ne (cm−3) ZCu* f2p
ATBASE + Stewart–Pyatt (Spect3D) 5.1 × 1024 13.76 6.00 5.5 × 1024 15.78 5.93
SCRAM + ion-sphere 5.1 × 1024 14.39 5.84 5.5 × 1024 16.37 5.25
DFT + QMD (VERITAS) 5.0 × 1024 12.88 5.87 5.3 × 1024 14.96 5.27
DFT + AA (Muze) 5.0 × 1024 12.52 5.87 5.5 × 1024 14.43 5.24
FAC + AA (FAC) 4.2 × 1024 12.86 5.87 4.9 × 1024 15.19 5.19

The CHCu[2%] plasma mixture has a mass density of ρ = 20 g cm−3 and two different temperatures. These results are predicted from different atomic physics models. Comparisons of these predicted physical quantities demonstrate the differences between two categories of atomic physics models for warm- or hot-dense plasmas: DFT-based models vs. traditional collisional-radiative models. The quoted value of ZCu* for VERITAS was calculated from the Thomas–Fermi average-atom model to provide a comparison to the other models, even though DFT calculations do not need to define ZCu*. Additional details of these models can be found in the Methods section.