Optical absorption spectra from model exchange-correlation (XC) kernels

We use model exchange-correlation (XC) kernels in the framework of time dependent density functional theory (TDDFT) to obtain the optical absorption spectra of different bulk materials. We also calculate the optical absorption spectra by solving the Bethe-Salpeter equation (BSE) for the two-particle Green’s function. We test various kernels such as JGM and JGM-G [1] on different bulk materials, and compare them with the Random Phase Approximation (RPA). In addition, we compare all the results with the experimental spectra when available. We find that model xc kernels built upon exact physical constraints are reasonably accurate for the optical response properties of bulk solids.

[1] A.V. Terentjev, L.A. Constantin and J.M. Pitarke, Phys. Rev. B 98, 085123 (2018)