The structure of a weakly bound ionic trimer: Calculations for the He24H− complex

Abstract

The weakly bound diatomic systems 4 He 2 and 4 HeH Ϫ have been found able to support only one bound state for Jϭ0, although the latter also supports an additional bound state for Jϭ1. In the present paper we, therefore, study the structure of the bound states which might exist for the weakly bound triatomic 4 He 2 H Ϫ , in its Jϭ0 state, by describing the full potential as a simple addition of two-body ͑2B͒ interactions. We carry out bound state calculations using both Jacobi coordinates within a discrete variable representation ͑DVR͒ and pair coordinates with a distributed Gaussian function ͑DGF͒ 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 ͑3B͒ forces in the description of the full interaction and its effect on the number of possible bound states is also discussed.

Quantum and classical structures for He4 clusters with the H− impurity

“…3͒; the errors on average give us a measure of the broad radial distribution of the wave function, and in fact both methods give extended radial pair distribution functions ͓calculated as in Eqs. 25,34 Comparing the present results with those obtained previously by us, 34 where different interaction potentials were employed ͑the old potential of Bendazzoli for HeH Ϫ12 and the TTY model for He 2 -Ref. 3.…”

Binding weakly interacting partners: a study of Ca–He2 and its isotopomers

“…The distributed Gaussian functions (DGF) method [21][22][23] has been employed before for different systems with two identical rare-gas atoms and an impurity atom as in the LiHe 2 [17], He 2 H − [24] and Ne 2 H − [25] complexes. The total Hamiltonian in this approach ( for a zero total angular momentum) can be expressed via atom-atom coordinates as…”

Binding energies and structures of Ca-He2weakly bound triatomic complexes

“…The distributed Gaussian functions (DGF) method [24][25][26] has been employed before for different systems with two identical rare-gas atoms and an impurity atom, as in the Li-He 2 [20], He 2 -H − [27] and Ne 2 -H − [28] complexes. The total Hamiltonian in this approach (for a zero total angular momentum) can be expressed via atom-atom coordinates as…”

“…Indeed, by expanding in Legendre polynomials cos(γ /2) = λ c λ P λ (cosγ ), and noting that cosθ = P 1 (cosθ ), one arrives at (see, e.g., Eqs. (27) and (30) of Ref. [23])…”