Abstract
A model has been obtained from a strict expression of crystal energy by introducing S and valence approximations. The Mulliken approximation has been used for double-centered exchange and three-center integrals. The calculations have been carried out for Slater type atomic orbitals, varying the screening parameters. The bond energy has been represented as a sum of the energy for forming partial differential electronic densities, EA, the interatomic interaction energy EIA, and the correlation energy of atomic states in the crystal, E S . The computed bond energies for four oxides of alkaline-earth metals and six oxides of transition (iron group) metals are in good agreement with experimental data.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
