Self-consistent assessment of Englert-Schwinger model on atomic properties
No Thumbnail Available
Access rights
openAccess
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
This publication is imported from Aalto University research portal.
View publication in the Research portal
View/Open full text file from the Research portal
Other link related to publication
View publication in the Research portal
View/Open full text file from the Research portal
Other link related to publication
Date
2017-12-21
Major/Subject
Mcode
Degree programme
Language
en
Pages
1-10
Series
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.Description
Keywords
Other note
Citation
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
