Molecular scattering wave functions for Auger decay rates: The Auger spectrum of hydrogen fluoride

Abstract

A numerical method for calculating Auger rates is proposed. The continuum wave of the ejected Auger electron is computed by numerical propagation (close-coupling method) and thus accounts for the nonspherical interaction with the molecule. The method is tested by computing the Auger spectrum of hydrogen fluoride. Here initial cationic and final dicationic states are treated on the self-consistent-field level.