Abstract
This paper presents a comprehensive theoretical treatment of the low-lying electronic states of the molecular ion AsCl + correlating with the lowest dissociation asymptote As + ( 3P) + Cl ( 2P). All-electron CASSCF + CI calculations have been made with averaged atomic natural orbital basis sets. There are four bound states, namely X 2Π, A 2Π, 1 4Σ − and 1 4Π . Spectroscopic constants are calculated for the bound states and are in good agreement with experimental data for the doublet states.
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