Fa. Gianturco et al., The structure of a weakly bound ionic trimer: Calculations for the (He2H-)-He-4 complex, J CHEM PHYS, 114(13), 2001, pp. 5520-5530
The weakly bound diatomic systems He-4(2) and (HeH-)-He-4 have been found a
ble to support only one bound state for J=0, although the latter also suppo
rts 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 bo
und triatomic (He2H-)-He-4, in its J=0 state, by describing the full potent
ial 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 func
tion (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 stat
es 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 inte
raction and its effect on the number of possible bound states is also discu
ssed. (C) 2001 American Institute of Physics.