Most of the aforementioned exciplex studies used older globalhybrid DFAs, while some used rangeseparated hybrids. Of the two studies that investigated DHD-FAs both utilised TDA-DFT, instead of the full TD-DFT scheme, but only Krueger and Blanquart 102 considered a dispersion correction. Interestingly, most of the methods previously used to study exciplex systems are not those recommended by some of the latest single-molecule excitation studies, which by itself is reason enough to investigate the latter in the exciplex/excimer context. The majority of excimer and exciplex studies investigated these methods via applications, or carried out benchmark analyses against reference values that were not well defined and mostly based on experiment. Both benchmarks and application-based excimer studies focussed on comparison of methods by the calculation of the dissociation energy, as this explores the binding of the complex, while fewer studies have explored other spectrometric parameters such as the fluorescence, absorption and repulsion energies. Potential energy curves of the lowest excited state reported relative to the asymptote of the dissociation curve of the ground state 5 are standard practice to derive these spectroscopic parameters. Groundstate studies commonly explore NCIs by focusing entirely on interaction energies that can be calculated, e.g., as the difference between the dimer and individual monomer energies or alternatively as the difference between the total energies of the dimer and a system in which the two monomers have been dissociated to a large distance from one another. By this definition, a negative interaction energy indicates a stable complex. The dissociation energy of an excimer is inherently an interaction energy and provides a convenient metric to discuss excited-state binding and NCIs in one go. However, the computational studies of excimers and exciplexes do not report excited-state interaction energy curves, other than a handful of exceptions we are aware of; we advocate to adopt it more frequently, as it allows direct comparison with what has become the standard in groundstate treatments of NCIs. Note that according to that definition of an interaction energy, the dissociation energy D e is simply its absolute value.