Local density theory of metallic cohesion

Abstract

We present the results of extensive numerical experiments designed to test the ability of the local-density theory of electronic exchange and correlation to describe binding in both simple and transition metals. Predicted nuclear separations, cohesive energies, and bulk moduli for 26 third- and fourth-row metals exhibit remarkable agreement with experiment. The only input to these calculations is the atomic number. © 1977 The American Physical Society.