Pairwise potentials in simple metals
This chapter shows how pairwise potentials for simple, s-p bonded metals, can be derived from first-principles. The starting point is jellium, and the ions are specified as pseudopotentials, local or non-local. The application of perturbation theory to second order in the pseudopotentials leads to the energy in the form of a density dependent, structure independent term plus a sum of density dependent, pairwise interactions between the ions. With the help of the Hellmann–Feynman theorem a simple physical interpretation is given in terms of interacting, spherically-symmetric pseudoatpms. A simple example using the Ashcroft empty core pseudopotential and the Thomas–Fermi approximation is worked through to illustrate the concepts. The use of a local density as a parameter within the pair potential is discussed.
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