Potential energy curves of the (XeH)+system
- 1 October 1973
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 6 (10), L289-L293
- https://doi.org/10.1088/0022-3700/6/10/005
Abstract
Ab initio calculations have been carried out on some potential energy curves of the (XeH)+ molecule, with particular attention paid to the lowest states. The spin-orbit interaction has been taken into account using a semi-empirical method. These calculations suggest the use of a three-state basis when dealing with H+-Xe collisions at low energies. It is also found that the computer MO correlation diagram is in good agreement with that predicted by the 'promotion model' of Barat and Lichten (1972).Keywords
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