Application of SCF perturbation theory to the study of tetrahedrally bonded valence crystals

The bond interaction method has been applied to the study of hexagonal and cubic BeO, BN and diamond. It is found that the CNDO method yields the cubic structure as the more stable forms of BN and diamond; the BeO calculation did not converge well. It is concluded that the method is limited to the study of relatively covalent systems.