Theory of the heat of solution of hydrogen in Al and Mg using nonlinear screening

A theory of the heat of solution of hydrogen in simple metals is developed and results are presented for the cases of aluminum and magnesium. The electronic contribution to the heat of solution is treated within the framework of local pseudopotential theory and is based on linear screening. For the proton contribution it is necessary to use nonlinear theory for the screening of the proton and a convenient framework for this is the density …