Self-consistent assessment of Englert-Schwinger model on atomic properties
Research output: Contribution to journal › Article
- Universidad de Medellín
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.
|Journal||Journal of Chemical Physics|
|Publication status||Published - 21 Dec 2017|
|MoE publication type||A1 Journal article-refereed|