Spectroscopy and collision theory. III. Atomic eigenchannel calculation by a Hartree-Fock-Roothaan method

Abstract

Previous papers have expressed various experimental spectral data in terms of a single set of parameters (eigen-quantum-defects, transformation matrix, and excitation dipole moments). The parameters pertain to eigenstates of an electron-ion scattering matrix which represents only the effect of short-range interactions. This paper presents a method for calculating the same parameters by solving the many-electron Schrödinger equation for an atom within a limited spherical volume. Quantitative results, for Ar states with $J=1\mathrm{}$ and odd parity, are compared with data extracted earlier from an analysis of spectral data, and are also used to reproduce the first 65 discrete line positions and their intensities, the positions and profiles of autoionization lines, and the branching ratio of the photoionization.