In this paper we present a theoretical method to calculate the absorption spectra of hot dense plasmas. Based on our fully relativistic treatment incorporated with the quantum defect theory to handle the huge number of transition arrays from many configurations with high principal quantum number, we can calculate the absorption spectra for any element or multi-element plasmas with little computational efforts. We calculate the absorption spectra of C10H16O5 plasmas, which are in good agreement with the experimental spectra. We can then provide diagnostic analysis for plasmas in relevant inertial confinement fusion (ICF) experiments; namely not only to determine plasmas’ temperatures and densities,but also to provide the population densities of various ionic stages. Our theoretical method verified by “benchmark experiments” will be a basic tool to provide “precise” opacity data for the ICF research.
The density functional theory (DFT) provides us an effective way to calculate large cluster systems with moderate computational demands. We calculate potential energy surfaces (PES) with several different approaches of DFT. The PES in the ground electronic state are related to HCP's isomerization process. The calculated PES are compared with the “experimental” PES obtained by fitting from the experimental vibrational spectra and that given by the “accurate” quantum chemistry calculation with more expensive computations. The comparisons show that the potential surfaces calculated with DFT methods can reach the accuracy of less than 0.1 eV.
Using the detailed conGguration accounting with the term structures treated by the unresolved transition array model,we present a method to calculate the transmission spectra of hot dense plasmas.Due to the fully relativistic treatment,incorporated with the quantum defect theory to calculate the atomic parameters of the huge number of conGgurations with high principal quantum number,we can study the opacities for any middle-and high-Z plasmas with much less computational efforts.We can also conveniently identify the dominant configurations and the detailed features of transition arrays,which are very helpful for the diagnostic of the plasma conditions.The accuracy of our theoretical model is tested by comparing the calculated transmission spectra of Fe and Ge plasmas with the bench mark experimental data.
