Nl. Allan et Wc. Mackrodt, DENSITY-FUNCTIONAL THEORY AND INTERIONIC POTENTIALS, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(5), 1994, pp. 871-878
A brief review is presented of how density functional theory has been
used to obtain interionic potentials in solids. The advantage and also
the limitations of this approach are stressed. Functionals based on t
he uniform electron gas are much more successful than might have been
anticipated from the underlying assumptions of the model.