Relativistic coupled-cluster calculations of transition properties in highly charged inert-gas ions

Abstract

We have carried out an extensive investigation of various spectroscopic properties of highly charged inert-gas ions using a relativistic coupled-cluster method through a one-electron detachment procedure. In particular, we have calculated the atomic states $2{s}^{2}2{p}^{5}\phantom{\rule{4pt}{0ex}}^{2}P_{3/2}$, $2{s}^{2}2{p}^{5}\phantom{\rule{4pt}{0ex}}^{2}P_{1/2}$, and $2s2{p}^{6}\phantom{\rule{4pt}{0ex}}^{2}S_{1/2}$ in F-like inert-gas ions; $3{s}^{2}3{p}^{5}\phantom{\rule{4pt}{0ex}}^{2}P_{3/2}$, $3{s}^{2}3{p}^{5}\phantom{\rule{4pt}{0ex}}^{2}P_{1/2}$, and $3s3{p}^{6}\phantom{\rule{4pt}{0ex}}^{2}S_{1/2}$ states in Cl-like Kr, Xe, and Rn; and $4{s}^{2}4{p}^{5}\phantom{\rule{4pt}{0ex}}^{2}P_{3/2}$, $4{s}^{2}4{p}^{5}\phantom{\rule{4pt}{0ex}}^{2}P_{1/2}$, and $4s4{p}^{6}\phantom{\rule{4pt}{0ex}}^{2}S_{1/2}$ states in Br-like Xe and Rn. Starting from a single-reference Dirac-Hartree-Fock wave function, we construct our exact atomic states by including the dynamic correlation effects in an all-order perturbative fashion. Employing this method, we estimate the ionization potential energies of three low-lying orbitals present in their respective closed-shell configurations. Since the considered highly charged inert-gas ions exhibit huge relativistic effects, we have taken into account the corrections due to Breit interaction as well as from the dominant quantum electrodynamic correction such as vacuum polarization and self-energy effects in these systems. Using our calculated relativistic atomic wave functions and energies, we accurately determine various transition properties such as wavelengths, line strengths, oscillator strengths, transition probabilities, and lifetimes of the excited states.