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

Research output: Contribution to journalArticleScientificpeer-review

Standard

Self-consistent assessment of Englert-Schwinger model on atomic properties. / Lehtomäki, Jouko; Lopez-Acevedo, Olga.

In: Journal of Chemical Physics, Vol. 147, No. 23, 234102, 21.12.2017, p. 1-10.

Research output: Contribution to journalArticleScientificpeer-review

Harvard

APA

Vancouver

Author

Bibtex - Download

@article{9dfc370b4727497eb4c2c7632145b9c4,
title = "Self-consistent assessment of Englert-Schwinger model on atomic properties",
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.",
author = "Jouko Lehtom{\"a}ki and Olga Lopez-Acevedo",
year = "2017",
month = "12",
day = "21",
doi = "10.1063/1.5000908",
language = "English",
volume = "147",
pages = "1--10",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "AMERICAN INSTITUTE OF PHYSICS",
number = "23",

}

RIS - Download

TY - JOUR

T1 - Self-consistent assessment of Englert-Schwinger model on atomic properties

AU - Lehtomäki, Jouko

AU - Lopez-Acevedo, Olga

PY - 2017/12/21

Y1 - 2017/12/21

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85038964477&partnerID=8YFLogxK

U2 - 10.1063/1.5000908

DO - 10.1063/1.5000908

M3 - Article

VL - 147

SP - 1

EP - 10

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 23

M1 - 234102

ER -

ID: 16956159