Weakly bound finite systems: ( 4He) N-Rb 2( 3Σ u), clustering structures from a quantum Monte Carlo approach

We report here ( 4He) NRb 2( 3 u) complexes, 2N20, 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 HeHe potential as compared with the HeRb 2 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. © 2012 IOP Publishing Ltd.MICINN, Grants Nos FIS2007-62006 and FIS2010-18132. RR-C and DL-D acknowledge the Spanish programs JAE-PREDOC, grant No. JAE-Pre-2010-01277, and JAE-DOC, Contract Id. E-28- 2009-0448699, respectively. The support of COST Action CM1002 (CODECS) is also appreciated.Peer Reviewe