Author： Murrell J. N. Naumkin F. Y. Griffiths C. R.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.99, Iss.2, 2001-01, pp. : 115-132
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Abstract
DIM-type matrices for RgHen+ clusters have been established from the results of ab initio calculations on RgHe and RgHe+ (Rg=Ne and Ar). The method has been tested against ab initio calculations on linear and T shaped RgHe2+ and found to be satisfactory. Rotational invariance has been established for larger clusters, and the geometries and energies of clusters up to n = 16 have been determined. Ne cluster ions are more stable than Ar cluster ions because of the greater contribution from charge transfer, and are structurally different. The relative stabilities of these cluster ions are consistent with the available experimental data.
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