Photoionization of hydrogen halides using the r-matrix method

Abstract

ABSTRACT In this study, we use the UK Molecular r-matrix (ukrmol) codes in the close-coupling approximation to examine the photoionization of hydrogen halides (hydrogen fluoride, hydrogen chloride, and hydrogen bromide). This article reports the total and partial photoionization cross-sections for the $\mathrm{X}^2 \Pi$, $\mathrm{A}^2 \Sigma ^{+}$, and $\mathrm{B}^2 \Sigma ^{+}$ ionic states of these halides. The calculated cross-sections are compared with the available literature, which does not accurately represent the effective cross-sections near the threshold region, which is dominated by the Rydberg series autoionization resonances converging to the $\mathrm{A}^2 \Sigma ^{+}$ ionic state. There seems to have been minimal effort to investigate the Rydberg-bound states of these halides. Meanwhile, the r-matrix approaches have traditionally excelled at characterizing such studies. This indicates the effectiveness of this method for molecular photoionization as well as for understanding the resonant contribution to the photoionization cross-sections. The detailed cross-sections calculated comprise the complex autoionizing resonance structures capable of significantly contributing to the computations of total photoionization rates, which are necessary to maintain a steady state of ionization in astrophysical plasmas. Comparisons with the experimental measurements and the theoretical data generally show reasonable agreement across the reported energy range.