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 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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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. |
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ISSN: | 1751-8113 1751-8121 |
DOI: | 10.1088/1751-8121/aba4d3 |