“…When considering molecules, this summation is even harder to perform due to either the complexity of obtaining states for complex potentials or the summation requiring a huge amount of vibrational and rotational states for a reliable evaluation, even for harmonic potentials [19]. Because of these reasons, simpler methods -such as the Thomson or the Form Factor (FF) approximations [43,44] -are very much used when calculating, for instance, light scattering by manyelectron atoms or crystallographic specimens [8,9,45], although they are unable to capture quantum mechanical effects that are given by the target bound spectrum, such as quantum interference [46,47] or resonance effects [29], among others.…”