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Deep Learning the Hohenberg-Kohn Maps of Density Functional Theory

Deep Learning the Hohenberg-Kohn Maps of Density Functional Theory

A striking consequence of the Hohenberg-Kohn theorem of density functional theory is the existence of a bijection between the local density and the ground-state many-body wave function. Here we study the problem of constructing approximations to the Hohenberg-Kohn map using a statistical learning approach. Using supervised deep learning with synthetic …