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.
Original language | English |
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Article number | 234102 |
Pages (from-to) | 1-10 |
Journal | Journal of Chemical Physics |
Volume | 147 |
Issue number | 23 |
DOIs | |
Publication status | Published - 21 Dec 2017 |
MoE publication type | A1 Journal article-refereed |