ORBITAL CONSTRUCTIONS AND ELECTRON POPULATIONS IN THE TRANSITION ELEMENTS

Abstract

Orbital constructions and electron populations for the bands in the transition elements have been worked out. With the assumption of uniform density of states in delocalized bands among nearest neighbors, it is possible to predict correctly the lattice elected by the elements. Manganese and iron are exceptions. Numerical values for electron populations in the several s, p, d, and hybrid bands, including their bonding, antibonding, and non-bonding levels, are obtained.