Abstract
We have investigated inner-shellexcitation of the LiH+ molecularion by electron impact within severaldifferent collision models to delineateRydberg autoionizing resonance structureassociated with the LiH+(1σ2σ2 2Σ+)core-excited threshold. The minimalrepresentation requires only the retentionof the 1σ and2σ molecular orbitals, in which the core-excited state involvesthe promotion of a single electron into the 2σ orbital. This modelis extended to include two further representations, in which both the 3σ and 4σ orbitals obtained from a self-consistent fieldcalculation improve targetrepresentation, correlation and supportadditional autoionization channels. Thisaffects the autoionization widths and to alesser degree the positions of the LiH(1σ2σ2ns, np 1,3Σ+) resonance series.Comparing our work with calculations onthe counterpart atomic Be system assists inthe assignment of the core-excitedmolecular resonance states. The resultsfrom our investigation provide helpfulinsights into the study of inner-shelltransitions produced by electron or photonimpact in more complex diatomic molecules.
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