Importance of Strongly Bound Excited States in the Electronic Spectrum of Be+2

✍ Scribed by P.J. Bruna; B.Q. Meng; J.S. Wright

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 807 KB
• Volume: 159
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1993.1106

✦ Synopsis

Theoretical radiative data are presented for selected transitions involving the strongly bound (1^{2} \mathrm{II}{u}) and (1^{4} \Sigma{k}^{-})states of (\mathrm{Be}{z}^{+}). The wavefunctions stem from a Multi-Reference Configuration Interaction (MRD-CI) treatment correlating three valence electrons. Absorption from (1^{2} \mathrm{II}{u}) (\left(\sigma_{g}^{2} \pi_{u}\right)) into (1^{2} \Delta_{g}) and (1^{2} \Sigma_{g}^{-})(both (\sigma_{R} \pi_{u}^{2}) ) have oscillator strengths (f_{00}) of 0.028 and 0.073 , respectively. The unusual stability of states having single or double excitation into the (\pi_{u} \mathrm{MO}) dominates the spectrum and make experimental detection of (\mathrm{Be}{2}^{+})feasible. An absorption (f{00}) of 0.049 for the Rydberg transition (2^{2} \Delta_{g} \leftarrow 1^{2} \Pi_{u}\left(\pi_{u} \rightarrow 3 d_{b}\right)) also indicates a high intensity spectrum. Absorption from (1^{4}{ }^{4} k) generally leads to rupture of the (\mathrm{Be}-\mathrm{Be}) bond since the upper states are either repulsive (\left(1^{4} I_{u}, 1^{4} \Sigma_{u}^{-}\right))or metastable (\left(3^{4} \mathbf{I}_{u}\right)). c: 1993 Academic Press. Inc.