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arXiv · 2502.15444

Bound on the Excess Charge of Generalized Thomas-Fermi-Weizs\"acker Functionals

Rafael D. Benguria·Heinz Siedentop
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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-Weizs\"acker 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 $4\sqrt\pi$ of the nonlinear term. We also improve the linear bound for all $p\geq6/5$.

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Rafael D. Benguria, Heinz Siedentop. 2025-02-21. Bound on the Excess Charge of Generalized Thomas-Fermi-Weizs\"acker Functionals. https://arxiv.org/abs/2502.15444

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