Bound on the Excess Charge of Generalized Thomas-Fermi-Weizsäcker Functionals

Fuente: arXiv
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Autori principali: Benguria, Rafael D., Siedentop, Heinz
Natura: Preprint
Pubblicazione: 2025
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author Benguria, Rafael D.
Siedentop, Heinz
author_facet Benguria, Rafael D.
Siedentop, Heinz
contents 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 $4\sqrtπ$ of the nonlinear term. We also improve the linear bound for all $p\geq6/5$.
format Preprint
id arxiv_https___arxiv_org_abs_2502_15444
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Bound on the Excess Charge of Generalized Thomas-Fermi-Weizsäcker Functionals
Benguria, Rafael D.
Siedentop, Heinz
Mathematical Physics
Analysis of PDEs
81V45, 81V55, 35Q40
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 $4\sqrtπ$ of the nonlinear term. We also improve the linear bound for all $p\geq6/5$.
title Bound on the Excess Charge of Generalized Thomas-Fermi-Weizsäcker Functionals
topic Mathematical Physics
Analysis of PDEs
81V45, 81V55, 35Q40
url https://arxiv.org/abs/2502.15444