Alkali-metal chemisorption

The linear response function in the density functional formalism developed by Ying, Smith and Kohn is applied to alkali chemisorption on metallic surfaces, the adatom being represented by a pseudopotential perturbing the surface.Binding energies, induced dipoles and vibrational frequencies at the equilibrium position are calculated for a series of alkalis. The theoretical values for these quantities are in good agreement with experimental results where available.