Effective pair interaction from ab initio pseudopotentials - Importance and applications

Computation of reliable effective interionic pair interaction for simple me tals has been discussed on the basis of localised ab initio pseudopotential within linear screening approximation. The influence of different commonly used screening functions on the shape of pair potential is examined and th e temperature dependence of the interaction is also investigated. Various f eatures of the potential are studied and compared with empirical and availa ble first principle results. Importance of the present study and some relat ed problems are also analysed.