Self-consistent assessment of Englert-Schwinger model on atomic properties

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  • Universidad de Medellín

Abstract

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.

Details

Original languageEnglish
Article number234102
Pages (from-to)1-10
JournalJournal of Chemical Physics
Volume147
Issue number23
Publication statusPublished - 21 Dec 2017
MoE publication typeA1 Journal article-refereed

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