Computational aspects of interaction hyperpolarizability calculations.: A study on H2•••H2, Ne•••HF, Ne•••FH, He•••He, Ne•••Ne, Ar•••Ar, and Kr•••Kr

We report an extensive investigation of the interaction hyperpolarizability of a number of model systems: the hydrogen molecule dimer, the interaction of hydrogen fluoride with a neon atom, and the rare gas diatoms He-2, Ne-2, Ar-2, and Kr-2. Our approach relies on finite-field many-body perturbation theory and coupled cluster calculations. The exploration of the various aspects of interaction hyperpolarizability calculations has brought forth the necessity for well-defined computational strategies that can lend to reliable theoretical predictions for such quantities.