Effective Pair Interaction from Ab Initio Pseudopotentials - Importance and Applications
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Computation of reliable effective interionic pair interaction for simple metals 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 the temperature dependence of the interaction is also investigated. Various features of the potential are studied and compared with empirical and available first principle results. Importance of the present study and some related problems are also analysed.
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