Exact Excited-State Functionals of the Asymmetric Hubbard Dimer

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Abstract: The exact functionals associated with the (singlet) ground and the two singlet excited states of the asymmetric Hubbard dimer at half-filling are calculated using both Levy's constrained search and Lieb's convex formulation. Remarkably, it is found that, although the one-to-one mapping between density (or, more precisely, site occupation) and external potential may not apply (as in the case of the first excited state), each state-specific energy and corresponding universal functional are ``functions whose derivatives are each other's inverse, just as in the ground state formalism.














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