  We elaborate on unconventional electronic structure methods based on geminals
and their potential to advance the rapidly developing field of organic
photovoltaics (OPV). Specifically, we focus on the computational advantages of
geminal-based methods over standard approaches and identify the critical
aspects of OPV development. Examples are reliable and efficient computations of
orbital energies, electronic spectra, and van-der-Waals interactions.
Geminal-based models can also be combined with quantum embedding techniques and
a quantum information analysis of orbital interactions to gain a fundamental
understanding of the electronic structures and properties of realistic OPV
building blocks. Furthermore, other organic components present in, for
instance, dye-sensitized solar cells (DSSC) represent another promising scope
of application. Finally, we provide numerical examples predicting the
properties of a small building block of OPV components and two carbazole-based
dyes proposed as possible DSSC sensitizers.
