Journal of Chemical Physics, Vol.108, No.21, 9102-9106, 1998
Ground-state properties of doped He-3 clusters
In the framework of finite-range density functional (FRDF) theory, we have investigated the ground-state properties of He-3(N) drops doped with inert gas atoms and SF6 molecules. Compared with the He-4(N) case, the solvation energies turn out to be smaller, but still negative. Due to the attraction exerted by the impurity on the surrounding He-3 atoms, doped drops of any size are bound. The number of He-3 atoms in the first solvation shell is calculated, and it is compared with that of doped He-4(N) drops, for which FRDF results are also available.