Self-consistent assessment of Englert-Schwinger model on atomic properties
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Tutkijat
Organisaatiot
- Universidad de Medellín
Kuvaus
Our manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-15vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.
Yksityiskohdat
Alkuperäiskieli | Englanti |
---|---|
Artikkeli | 234102 |
Sivut | 1-10 |
Julkaisu | Journal of Chemical Physics |
Vuosikerta | 147 |
Numero | 23 |
Tila | Julkaistu - 21 joulukuuta 2017 |
OKM-julkaisutyyppi | A1 Julkaistu artikkeli, soviteltu |
Lataa tilasto
ID: 16956159