Ab initio molecular calculations including spin-orbit coupling. II. Molecular test on the InH molecule and application to the g states of the Ar2* excimer |
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| Authors: | C Teichteil F Spiegelmann |
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| Institution: | Laboratoire de Physique Quantique (E.R.A. 821), Université Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex, France |
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| Abstract: | Ab initio CI relativistic calculations with non-empirical core pseudopotentials are achieved for the valence states of InH and the gerade Rydberg states of the Ar2* excimer using the quasi-degenerate perturbation theory in the Λ · Σ coupling scheme. |
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