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

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Date

2017-12-21

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en

Pages

1-10

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Journal of Chemical Physics, Volume 147, issue 23

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.

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Lehtomäki , J & Lopez-Acevedo , O 2017 , ' Self-consistent assessment of Englert-Schwinger model on atomic properties ' , Journal of Chemical Physics , vol. 147 , no. 23 , 234102 , pp. 1-10 . https://doi.org/10.1063/1.5000908