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

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 mode...

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Autores:
Tipo de recurso:
Fecha de publicación:
2017
Institución:
Universidad de Medellín
Repositorio:
Repositorio UDEM
Idioma:
eng
OAI Identifier:
oai:repository.udem.edu.co:11407/4563
Acceso en línea:
http://hdl.handle.net/11407/4563
Palabra clave:
Physical chemistry; Physics; Atomic properties; Free model; Kohn shams; Pauli potentials; Self-consistent solution; Thomas-Fermi; Atoms
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License
http://purl.org/coar/access_right/c_16ec
Description
Summary: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. © 2017 Author(s).