Electronic Structure of Hydrogen and Muonium in Simple Metals

The self-consistent, nonlinear screening calculations for hydrogen and μ+ in jellium are carried out by using the Hohenberg-Kohn and Kohn-Sham density functional formalism. The Blatt prescription is used to incorporate the size effect. No bound states are found for H and μ+ in the elctronic densities corresponding to Al,Mg, and Cu matrices, which is in agreement with experimental information on μ+. The net protonic charges are found to be 0.40e, 0.42e and 0.49e and net muonic charges are 0.34e, 0.35e and 0.46e in Al,Mg and Cu matrices, respectively, which are in agreement with early calculations. The calculated residual resistivity for the Cu-H system is found in good agreement with the experimental value