The electronic excited states of molecular aggregates and their photophysical signatures
have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel …

This account aims at providing an understanding of singlet fission, ie, the photophysical
process of a singlet state (S1) splitting into two triplet states (2× T1) in molecular …

Singlet fission is a photophysical reaction in which a singlet excited electronic state splits
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …

While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …

Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …

This work introduces the PYXAID program, developed for non-adiabatic molecular dynamics
simulations in condensed matter systems. By applying the classical path approximation to …

Exciton fission is a process that occurs in certain organic materials whereby one singlet
exciton splits into two independent triplets. In photovoltaic devices these two triplet excitons …

The ability to advance our understanding of multiple exciton generation (MEG) in organic
materials has been restricted by the limited number of materials capable of singlet fission. A …

The Bethe–Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient
and accurate tool in the ensemble of computational methods available to chemists in order …

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 …