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Benguria, Rafael D. ORCID logoORCID: https://orcid.org/0000-0002-0696-0876 und Siedentop, Heinz ORCID logoORCID: https://orcid.org/0000-0003-1422-7882 (2025): Bound on the excess charge of generalized Thomas-Fermi-Weizsäcker functionals. In: Journal of Mathematical Physics, Bd. 66, Nr. 7, 072103 [PDF, 4MB]

Abstract

We bound the number of electrons Q that an atom can bind in excess of neutrality for density functionals generalizing the classical Thomas-Fermi-Weizsäcker functional: instead of the classical power 5/3 more general powers p are considered. For 3/2 < p < 2 we prove the excess charge conjecture, i.e., that Q is uniformly bounded in the atomic number Z. The case p = 3/2 is critical: the behavior changes from a uniform bound in Z to a linear bound at the critical coupling of the nonlinear term. We also improve the linear bound for all p ≥ 6/5.

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