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

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 …

Singlet fission is a process in which a singlet exciton converts into two triplet excitons. To
investigate this phenomenon, we synthesized two covalently linked 5-ethynyl-tetracene (ET) …

This Perspective discusses salient features of the spin-flip approach to strong correlation
and describes different methods that sprung from this idea. The spin-flip treatment exploits …

Benchmarking is an every-day task in computational chemistry, yet making meaningful
comparisons between different methods is nontrivial. Benchmark studies often focus on the …

Singlet fission is a process that splits collective excitations, or excitons, into two with unity
efficiency. This exciton splitting process, unique to molecular photophysics, has the potential …

Time-dependent density functional theory (TD-DFT) is the most widely-used electronic
structure method for excited states, due to a favorable combination of low cost and semi …

An open‐source software library for wavefunction analysis, libwfa, provides a
comprehensive and flexible toolbox for post‐processing excited‐state calculations, featuring …

Electronic factors controlling singlet fission (SF) rates are investigated in covalently linked
dimers of tetracene. Using covalent linkers, relative orientation of the individual …

Singlet fission is a process in which one singlet exciton is converted to two triplets. By using
transient absorption and time-resolved emission spectroscopy, recent experimental study (J …