We present an ab initio study of electronically excited states of three-dimensional solids
using Gaussian-based periodic equation-of-motion coupled-cluster theory with single and …

We present ab initio absorption spectra of six three-dimensional semiconductors and
insulators calculated using Gaussian-based periodic equation-of-motion coupled-cluster …

Singlet exciton fission (SF), the formation of two triplet excitons from one singlet exciton,
involves electronic, nuclear, and spin degrees of freedom as well as their couplings. Despite …

We calculate bandgaps of 12 inorganic semiconductors and insulators composed of atoms
from the first three rows of the Periodic Table using periodic equation-of-motion coupled …

This work presents a density functional theory (DFT)-based embedding technique for the
calculation of optical gaps in ionic solids. The approach partitions the supercell of the ionic …

Abstract Diese Arbeit beschreibt experimentelle Untersuchungen der
fluktuationsdominierten elektronischen Struktur von molekularen Halbleitern und der …