The structure of a weakly bound ionic trimer: Calculations for the He24H− complex
Franco Antonio Gianturco, Francesco Paesani, I. Baccarelli +6 more
The weakly bound diatomic systems He24 and HeH−4 have been found able to support only one bound state for J=0, although the latter also supports an additional bound state for J=1. In the present paper we, therefore, study the structure of the bound states which might exist for the weakly bound triatomic He24H−, in its J=0 state, by describing the full potential as a simple addition of two-body (2B) interactions. We carry out bound state calculations using both Jacobi coordinates within a discrete variable representation (DVR) and pair coordinates with a distributed Gaussian function (DGF) expansion. The system is shown to possess two bound states with respect to its lower dissociation threshold and two further “ghost” states before the complete break-up threshold. The spatial structures of such states and of the floppy complex are analyzed in detail, as is the possibility of detecting Efimov-type states in such a weakly bound aggregate. Finally, the inclusion of three-body (3B) forces in the description of the full interaction and its effect on the number of possible bound states is also discussed.
The Journal of Chemical Physics•Apr 1, 2001•19 citations