<p>We consider a Thomas-Fermi mean-field model for large neutral atoms. That is, Schrödinger operators <InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(H_Z^{\text {TF}}=-\Delta -\Phi _Z^{\text {TF}}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <msubsup> <mi>H</mi> <mi>Z</mi> <mtext>TF</mtext> </msubsup> <mo>=</mo> <mo>-</mo> <mi mathvariant="normal">Δ</mi> <mo>-</mo> <msubsup> <mi mathvariant="normal">Φ</mi> <mi>Z</mi> <mtext>TF</mtext> </msubsup> </mrow> </math></EquationSource> </InlineEquation> in three-dimensional space, where <i>Z</i> is the nuclear charge of the atom and <InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(\Phi _Z^{\text {TF}}\)</EquationSource> <EquationSource Format="MATHML"><math> <msubsup> <mi mathvariant="normal">Φ</mi> <mi>Z</mi> <mtext>TF</mtext> </msubsup> </math></EquationSource> </InlineEquation> is a mean-field potential coming from the Thomas-Fermi density functional theory for atoms. For any sequence <InlineEquation ID="IEq3"> <EquationSource Format="TEX">\(Z_n\rightarrow \infty \)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <msub> <mi>Z</mi> <mi>n</mi> </msub> <mo stretchy="false">→</mo> <mi>∞</mi> </mrow> </math></EquationSource> </InlineEquation> we prove that the corresponding sequence <InlineEquation ID="IEq4"> <EquationSource Format="TEX">\(H_{Z_n}^{\text {TF}}\)</EquationSource> <EquationSource Format="MATHML"><math> <msubsup> <mi>H</mi> <mrow> <msub> <mi>Z</mi> <mi>n</mi> </msub> </mrow> <mtext>TF</mtext> </msubsup> </math></EquationSource> </InlineEquation> is convergent in the strong resolvent sense if and only if <InlineEquation ID="IEq5"> <EquationSource Format="TEX">\(D_{\text {cl}}Z_n^{1/3}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <msub> <mi>D</mi> <mtext>cl</mtext> </msub> <msubsup> <mi>Z</mi> <mi>n</mi> <mrow> <mn>1</mn> <mo stretchy="false">/</mo> <mn>3</mn> </mrow> </msubsup> </mrow> </math></EquationSource> </InlineEquation> is convergent modulo 1 for a universal constant <InlineEquation ID="IEq6"> <EquationSource Format="TEX">\(D_{\text {cl}}\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mi>D</mi> <mtext>cl</mtext> </msub> </math></EquationSource> </InlineEquation>. 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 <InlineEquation ID="IEq7"> <EquationSource Format="TEX">\(-\Delta -C_\infty |x |^{-4}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mo>-</mo> <mi mathvariant="normal">Δ</mi> <mo>-</mo> <msub> <mi>C</mi> <mi>∞</mi> </msub> <msup> <mrow> <mo stretchy="false">|</mo> <mi>x</mi> <mo stretchy="false">|</mo> </mrow> <mrow> <mo>-</mo> <mn>4</mn> </mrow> </msup> </mrow> </math></EquationSource> </InlineEquation> for an explicit number <InlineEquation ID="IEq8"> <EquationSource Format="TEX">\(C_\infty \)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mi>C</mi> <mi>∞</mi> </msub> </math></EquationSource> </InlineEquation>.</p>

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Periodicity of Atomic Structure in a Thomas-Fermi Mean-Field Model

  • August Bjerg,
  • Jan Philip Solovej

摘要

We consider a Thomas-Fermi mean-field model for large neutral atoms. That is, Schrödinger operators \(H_Z^{\text {TF}}=-\Delta -\Phi _Z^{\text {TF}}\) H Z TF = - Δ - Φ Z TF in three-dimensional space, where Z is the nuclear charge of the atom and \(\Phi _Z^{\text {TF}}\) Φ Z TF is a mean-field potential coming from the Thomas-Fermi density functional theory for atoms. For any sequence \(Z_n\rightarrow \infty \) Z n we prove that the corresponding sequence \(H_{Z_n}^{\text {TF}}\) H Z n TF is convergent in the strong resolvent sense if and only if \(D_{\text {cl}}Z_n^{1/3}\) D cl Z n 1 / 3 is convergent modulo 1 for a universal constant \(D_{\text {cl}}\) D 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 \(-\Delta -C_\infty |x |^{-4}\) - Δ - C | x | - 4 for an explicit number \(C_\infty \) C .