<i>R</i>-Matrix Calculation of Electron Collision with the BeO⁺ Molecular Ion

Abstract

We report here an R-matrix study of electron collision with the BeO+ molecular ion in its X 2Π ground state and at a single bond length, namely its equilibrium Re=2.7023 a0. Firstly, a good quality configuration interaction calculation is performed for the BeO+ ground and excited states. We then perform scattering calculations using the R-matrix method to yield the cross-section for electronic excitation to several of its excited states. The electron impact dissociation of BeO+ through the two lowest dissociation channels, namely the Be+(2Sg) + O(3Pg) and Be+(2Sg) + O(1Dg) dissociation channels, is estimated using the electronic excitation cross-sections. Rotational excitation cross-sections are provided for the j(=0)→j′(=1,2,3) rotational transitions. Our calculations also yield e + BeO+ neutral Feshbach resonances and their widths which we present systematically categorized by their symmetry and quantum defects, and BeO-bound Rydberg states at the BeO+ equilibrium. The full potential energy curves for the resonant states, their widths and the bound Rydberg states, whose details we propose to give in a subsequent work, can be the starting point of other collision calculations.

Keywords

• fusion
• beryllium
• electron collision
• cross-section
• electronic excitation
• dissociation