Hohenberg–Kohn conjecture for density-potential determination
Hohenberg–Kohn conjecture for density-potential determination
Let be the density space, let be its dual space of external potentials, let denote the set of -particle densities, and let be the relevant subdifferential of the universal functional at . A density is a ground-state density for a potential when it arises as a ground state of the corresponding external-potential Hamiltonian.
Hohenberg–Kohn conjecture. For every , either
for some , or
whenever there are no potentials for which is a ground-state density. Thus, whenever the density is -representable, it determines the potential up to an additive constant.
The conjecture is the rigorous form of the Hohenberg–Kohn density-as-basic-variable principle in density functional theory. Its original proof has a non-rigorous pointwise division by the wavefunction, and it remains partially open for general potentials ; unique continuation is known for, among others, suitable locally integrable potentials including Coulomb potentials.
Sources & referencesView supporting material
Primary source
Simen Kvaal, “Moreau–Yosida regularization in DFT”, arXiv:2208.05268 (2022).
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