Density Uniqueness Proven for Non-Interacting Quantum Systems

Thiago Carvalho Corso of the Institute of Applied Analysis and Numerical Simulation, University of Stuttgart has proven a maximal version of the Hohenberg-Kohn theorem, a cornerstone of Density Functional Theory, for non-interacting quantum systems. The work establishes that the theorem holds true for Schrödinger operators with weakly correlated ground states, but only if the single-particle density is positive quasi-everywhere, a surprisingly precise condition that dictates when the theorem applies. Corso demonstrates this uniqueness extends to the Kohn-Sham potential within the class of Laplace form-bounded potentials, establishing the theorem for non-interacting systems with discrete ground state energy. The research reveals…