The Electronic Energy Bands of RbNO₃ at the Γ‐Point at 461 K

Abstract

A semiempirical self-consistent charge LCAO method is used to calculate the electronic energy bands of the cubic phase of RbNO, at 461 K at the r-point. The energy levels of the hypothetical "RbNO," molecule and the NO; ion are also calculated. The population densities, overlap charges, and effective charges on atoms are studied. The effect of the first-and second-nearest neighbours is considered in these calculations.