In their proof, Hohenberg and Kohn (Phys Rev 136 (1964) B864) established that the ground state density, ρgs, uniquely determines the Hamiltonian. This had the effect of establishing an implicit relationship between ρgs and the external potential (e.g. external magnetic field, crystal field, etc.), V, as the form of the kinetic energy and particle-particle interaction energy functionals are universal since they are only functions of the density. This implicit relationship defines a set of densities which are called v-representable. What is surprising is that there are "a number of 'reasonable' looking densities that have been shown to be impossible to be the ground state density for any V." (Martin, p. 130) On the surface, this restriction looks like it would reduce the usefulness of density functional theory, but, in practice, that is not the case. (See the proof by Levy - PNAS 76 (1979) 6062, in particular.) However, research continues into the properties of the v-representable densities, and I was wondering if someone could provide a summary of that work.
This post has been migrated from (A51.SE)