A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in
condensed matter, materials physics, chemistry, and biology is reviewed. The insights that …

Linearized augmented planewave methods are known as the most precise numerical
schemes for solving the Kohn–Sham equations of density-functional theory (DFT). In this …

We review the many-body Green's function Bethe–Salpeter equation (BSE) formalism that is
rapidly gaining importance for the study of the optical properties of molecular organic …

An increase or modification of structural order in the vicinity of a solid substrate is known for
a wide range of materials. For molecular materials crystallizing on a solid surface it has been …

The nature of low energy optical excitations, or excitons, in organic solids is of central
relevance to many optoelectronic applications, including solar energy conversion. Excitons …

We extend our previous work on singlet exciton fission in isolated dimers to the case of
crystalline materials, focusing on pentacene as a canonical and concrete example. We …

In this Review, we showcase the fundamental processes of intermolecular and
intramolecular singlet fission (SF). Furthermore we prioritize the information, which is …

Molecular electrical doping of organic semiconductors has emerged as a valuable strategy
to improve the performance of organic (opto-) electronic devices and to extend the range of …

The broad use of organic semiconductors for optoelectronic applications relies on
quantitative understanding and control of their spectroscopic properties. Of paramount …

Singlet exciton fission (SEF) is a key process for developing efficient optoelectronic devices.
An aspect rarely probed directly, yet with tremendous impact on SEF properties, is the …