Prefer a chat interface with context about you and your work?
<i>Ab Initio</i>Calculation of the Electronic and Optical Excitations in Polythiophene: Effects of Intra- and Interchain Screening
We present an ab initio calculation of the electronic and optical excitations of an isolated polythiophene chain as well as of bulk polythiophene. We use the $\mathrm{GW}$ approximation for the electronic self-energy and include excitonic effects by solving the electron-hole Bethe-Salpeter equation. The inclusion of interchain screening in the case …