English

Periodicity of atomic structure in a Thomas-Fermi mean-field model

Mathematical Physics 2024-11-08 v2 math.MP

Abstract

We consider a Thomas-Fermi mean-field model for large neutral atoms. That is, Schr\"odinger operators HZTF=ΔΦZTFH_Z^{\text{TF}}=-\Delta-\Phi_Z^{\text{TF}} in three-dimensional space, where ZZ is the nuclear charge of the atom and ΦZTF\Phi_Z^{\text{TF}} is a mean-field potential coming from the Thomas-Fermi density functional theory for atoms. For any sequence ZnZ_n\to\infty we prove that the corresponding sequence HZnTFH_{Z_n}^{\text{TF}} is convergent in the strong resolvent sense if and only if DclZn1/3D_{\text{cl}}Z_n^{1/3} is convergent modulo 11 for a universal constant DclD_{\text{cl}}. This can be interpreted in terms of periodicity of large atoms. We also characterize the possible limiting operators (infinite atoms) as a periodic one-parameter family of self-adjoint extensions of ΔCx4-\Delta-C_\infty\vert\,x\,\vert^{-4} for an explicit number CC_\infty.

Keywords

Cite

@article{arxiv.2406.19839,
  title  = {Periodicity of atomic structure in a Thomas-Fermi mean-field model},
  author = {August Bjerg and Jan Philip Solovej},
  journal= {arXiv preprint arXiv:2406.19839},
  year   = {2024}
}

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41 pages, 0 figures