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

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 $p\geq6/5$.

Publication Details

Journal
ArXiv.org
Published
2025-02-21
Primary Topic
Spectral Theory in Mathematical Physics
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article
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article

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

ArXiv.org
Spectral Theory in Mathematical Physics
article

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

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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 $p\geq6/5$.

ArXiv.org
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Spectral Theory in Mathematical Physics
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Bound on the Excess Charge of Generalized Thomas-Fermi-Weizs\"acker Functionals · ArXiv.org (2025) | TGRS Research Map | TGRS