Helium aggregates doped with alkali dimer impurities: A finite temperature study of 4HeN-Rb2(3Σu+) complexes

► We perform path integral Monte Carlo calculations on Rb2-doped helium clusters. ► Energies and structure of the aggregates are investigated on the 1 K ⩽ T ⩽ 2 K temperature range. ► The Rb2 impurity is found to locate preferentially on the surface formed by the helium atoms. ► The clusters become more stable when the number of He atoms is increased.