2025MNRAS.538..857W

In this study, we calculated the dust radiation spectrum using the dust optical radiation formula and compared it with observational data of dust spectra to assess the applicability of advanced density functional theory (DFT) calculations for modelling astrophysical dust radiation spectra. Employing first-principles DFT and the least-squares fitting method, we analysed the spectra of supernovae (SNe) and dust. Our results indicate that the discrepancy between theoretical predictions and experimental measurements of the dust spectrum is less than 0.2. We identified four key physical parameters: letter a is the unit vector of the photon Cartesian direction; b = 2pf/$\Pi$ (where f is the $\omega$ function and p is the principal value part); c is the dust particle volume; and d is the projection function ($\delta$). The spectral wavelength range investigated spans the near-to-mid-infrared region, specifically from 1.25 to 25 $\mu \mathrm{m}$, with a notably improved fit for wavelengths less than 15 $\mu \mathrm{m}$. These parameters are crucial for accurately calculating the absorption and emission spectra of various dust structures and various dust types, like Mg$_{2}$SiO$_{4}$, Carbon dust (C-dust), and Fe$_{3}$O$_{4}$.