Photoionization features of the ground and excited levels of Cl II and benchmarking with experiment

Abstract

This report presents i) various characteristic features in photoionization cross sections (σPI) of Cl II + hν → Cl III + e for many fine structure levels of Cl II, 392 in total with n ≤ 10 and l ≤ 9, ii) comparison of features with those observed in an experiment carried out at the Advanced Light Source at Lawrence Berkeley National Lab, and iii) partial photoionization cross sections of the ground level for ionization leaving the core ion in to various excited levels for applications in plasma modeling. The features correspond to resonant structures, the shape of the background, and their interference effect in σPI of this near neutral ion Cl II with 16 electrons. σPI for the 5 levels of the ground configuration 3s23p4(3P0,1,2, 1D2, 1S0) of Cl II show regions of narrow Rydberg resonances at and near threshold energies, and resonant structures at higher energies in contrast to typical smooth decrease in the background. Various other features in σPI of levels of excited equivalent electron states and broad Seaton resonances in single valence electron excited levels are illustrated with examples. Comparison of calculated σPI of the 15 lowest levels with the combined features of the measured photoionization spectrum shows excellent agreement by reproducing and thus identifying them to the levels that they belong to. The calculations were carried out in relativistic Breit-Pauli R-matrix (BPRM) method using a close coupling wave function expansion of 45 levels up to 4s of the core ion Cl III. These levels were optimized using a set of 12 configurations going up to orbital 5s, 3s23p3, 3s3p4, 3p5, 3s23p23d, 3s23p24s, 3s23p24p, 3s23p24d, 3s23p24f, 3s23p25s, 3s3p33d, 3s23p3d2, 3p43d producing 283 levels of Cl III. The autoionizing resonances are delineated with a fine energy mesh to observe the fine structure effects. The present results will provide high precision parameters for various applications involving this less studied ion.