Spectroscopy and metastability of BeO+

The potential energy curve of the ground electronic state of BeO and those of the lowest electronic states of the BeO+ cation are computed using the CASSCF/MRCI methods and a large basis set. For the cation, the spin-orbit coupling and the transition momentum integrals are also evaluated. These data are used later to deduce an accurate set of spectroscopic constants and to investigate the spin-orbit-induced predissociation of the lowest electronic excited states of BeO+. Our calculations show that the high-rovibrational levels of the BeO+ (12Σ+) electronic state exhibit rapid predissociation processes forming Be+(2S) + O(3P). Our curves are also used for predicting the single ionization spectrum of BeO.