On the excess charge of a relativistic statistical model of molecules with an inhomogeneity correction

We show that the molecular relativistic Thomas-Fermi-Weizsäcker functional consisting of atoms of atomic numbers Z 1, ..., Z k has a minimizer, if the particle number N is constrained to a number less or equal to the total nuclear charge Z ≔ Z 1 + ⋯ + Z K . Moreover, there is no minimizer, if the pa...

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Veröffentlicht in:Journal of physics. A, Mathematical and theoretical Mathematical and theoretical, 2020-10, Vol.53 (39), p.395201
Hauptverfasser: Chen, Hongshuo, Siedentop, Heinz
Format: Artikel
Sprache:eng
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Zusammenfassung:We show that the molecular relativistic Thomas-Fermi-Weizsäcker functional consisting of atoms of atomic numbers Z 1, ..., Z k has a minimizer, if the particle number N is constrained to a number less or equal to the total nuclear charge Z ≔ Z 1 + ⋯ + Z K . Moreover, there is no minimizer, if the particle number exceeds 2.56Z. This gives lower and upper bounds on the maximal ionization of heavy atoms.
ISSN:1751-8113
1751-8121
DOI:10.1088/1751-8121/aba4d3