Trial charge density profiles at the metallic surface and work functions calculations

We present a brief report outlining the density functional formalism to calculate the work function of a clean metal, as well as one covered by metallic submonolayer, using the trial charge density profiles at the surface of the considered system. It is shown also that if the total charge density profile nsub(T)(x) satisfies at the surface of jellium the Budd-Vannimenus constraint and is a symmetrical one, relative to y-axis, then the work function variations vs. Wigner-Seitz radius do not depend on the form of nsub(T)(x). (author)