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The structure of a weakly bound ionic trimer: Calculations for the [sup 4]He[sub 2]H[sup -] complex.

Authors :
Gianturco, F. A.
Paesani, F.
Baccarelli, I.
Delgado-Barrio, G.
Gonzalez-Lezana, T.
Miret-Artés, S.
Villarreal, P.
Bendazzoli, G. B.
Evangelisti, S.
Source :
Journal of Chemical Physics; 4/1/2001, Vol. 114 Issue 13, 1 Diagram, 4 Charts, 7 Graphs
Publication Year :
2001

Abstract

The weakly bound diatomic systems [sup 4]He[sub 2] and [sup 4]HeH[sup -] 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 [sup 4]He[sub 2]H[sup -], 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. © 2001 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Subjects

Subjects :
IONIC structure
BOUND states

Details

Language :
English
ISSN :
00219606
Volume :
114
Issue :
13
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4713664
Full Text :
https://doi.org/10.1063/1.1352034