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This work covers an ab initio calculation of thermodynamic, transport, andoptical properties of plastics of the effective composition CH$_2$ at density0.954 g/cm$^3$ in the temperature range from 5 kK up to 100 kK. The calculationis based on the quantum molecular dynamics, density functional theory and theKubo-Greenwood formula. The temperature dependence of the static electricalconductivity $\sigma(T)$ has a step-like shape: $\sigma(T)$ grows rapidly for 5kK <= $T$ <= 10 kK and is almost constant for 20 kK <= $T$ <= 60 kK. Theadditional analysis based on the investigation of the electron density ofstates (DOS) is performed. The rapid growth of $\sigma(T)$ at 5 kK<= $T$ <= 10kK is connected with the increase of DOS at the electron energy equal to thechemical potential $\epsilon = \mu$. The frequency dependence of the dynamicelectrical conductivity $\sigma_1(\omega)$ at 5 kK has the distinct non-Drudeshape with the peak at $\omega \approx 10$ eV. This behavior of$\sigma_1(\omega)$ was explained by the dip at the electron DOS.

Ab initio calculation of thermodynamic, transport, and optical properties of CH$_2$ plastics