The MT-MSXα(R) method: Applications to Li2, F2, and N2 molecules

The multiple scattering Xα(R) method with the scaling parameter α expressed as a function of the internuclear distance is applied to the Li₂, N₂, and F₂ molecules. Compared with the results obtained by the Xα method, the calculated Xα(R) equilibrium distances are smaller, the total energies are lower, and the dissociation energies are larger.