Weakly bound finite systems: (4He)N–Rb2(3Σu), clustering structures from a quantum Monte Carlo approach **This work is affectionately dedicated to Professor Giorgio Benedek, a very creative scientist and a dear friend, on the occasion of his 70th birthday.

Abstract

We report here (4He)N–Rb2(3Σu) complexes, 2 ≤ N ≤ 20, analysed through a quantum diffusion Monte Carlo stochastic approach. The calculations show that the spin stretched dimer molecule is bound outside the pure He sub-complex, due to the stronger He–He potential as compared with the He–Rb2 interaction, while the rare gas atom moiety presents, in turn, a shell-like structure with ten He adatoms completing the first shell. Our results agree with previous findings on this and similarly weakly interacting systems.