Efficiency of free auxiliary models in describing interacting fermions: From the Kohn-Sham model to the optimal entanglement model

Density functional theory maps an interacting Hamiltonian onto the Kohn-Sham Hamiltonian, an explicitly free model with identical local fermion densities. Using the interaction distance, the minimum distance between the ground state of the interacting system and a generic free fermion state, we quantify the applicability and limitations of the Kohn-Sham model in capturing all properties of the interacting system. As a byproduct, this distance determines the optimal free state that reproduces the entanglement properties of the interacting system as faithfully as possible. When applied to the Fermi-Hubbard model we demonstrate that in the thermodynamic limit, rather surprisingly, the optimal free state provides an asymptotically exact representation of the ground state for all values of interaction coupling. The proposal of an optimal entanglement model, as the parent Hamiltonian of the optimal free state, opens up the exciting possibility of extending the systematic applicability of auxiliary free models into the non-perturbative, strongly-correlated regimes.