Density functional approach for metals

Charge densities of free atoms modify to a great extent when they form metallic systems. This modification is examined in the light of Loewdin's α-expansion formalism as adopted by Matheiss in his muffin-tin potential calculation. Wigner-Seitz radius and cohesive energy of copper are calculated through the density functional approach by using this modified charge density. Charge densities at the cell boundaries of 3d transition metals are also calculated to test the applicability of the method to all metals. The results are quite encouraging, the simplicity of the method notwithstanding. (author)