Wavefunctions of Auger Electrons Emitted from Copper Atoms: A Computational Study

TL;DR

This study introduces a variational method for calculating continuum wavefunctions of Auger electrons from copper atoms, improving transition rate predictions and aligning closer with experimental data.

Contribution

A novel least-squares variational technique and computer program for more accurate Auger electron wavefunctions and transition rates in copper atoms.

Findings

Improved wavefunctions yield transition rates closer to experimental values.

Dominant (3p to 3d3d) transition identified in copper atom configurations.

Minimal variation in transition rates across different configurations.

Abstract

An elaborate least-squares variational technique is proposed for obtaining improved continuum wavefunctions of Auger electrons emitted from arbitrary systems the electronic structures of which are determined via one of the computer codes available. A computer program is developed on the basis of this technique for calculating the Auger transition rates using the angular momentum average scheme. The program is employed for investigating the emission of Auger electrons as a consequence of K- shell ionizations of two configurations of copper atoms. A comparison is presented between the improved Auger transitions and the ones determined using conventional Hartree-Fock codes. The results emphasize the argument that (3p to 3d3d) is the dominant transition in both configurations of the copper atoms. There is a minimal change in the values of the Auger transition rates obtained from these configurations. It is anticipated that the improved continuum wavefunctions provide closer results to the experimental ones.