Antishielding of magnetic and electric hyperfine interactions in open shell ions

Arthur J Freeman, R. E. Watson

Research output: Contribution to journalArticle

67 Citations (Scopus)

Abstract

In a previous paper, a method was presented for determining, within the framework of the unrestricted Hartree-Fock formalism, the contribution of closed atomic shells (called Sternheimer antishielding) to magnetic and electric hyperfine interactions. We here discuss and apply this method to the study of the antishielding of both magnetic dipole and electric quadrupole interactions associated with the aspherical valence electrons of atoms and ions. In addition to closed shell antishielding, it is shown that there are repercussions within the open shell which are significant for hyperfine interactions. Results of specific computations for the free Fe2+ ion and the Cl atom are given, and comparisons are made with earlier perturbation theory results. An estimate is made of the quadrupole moment of the excited state of Fe57. Finally, the serious symmetry problem, which is associated with polarization investigations applied either to atoms or solids, is discussed.

Original languageEnglish
Pages (from-to)2566-2573
Number of pages8
JournalPhysical Review
Volume131
Issue number6
DOIs
Publication statusPublished - 1963

Fingerprint

quadrupoles
atoms
ions
interactions
magnetic dipoles
perturbation theory
formalism
valence
moments
symmetry
polarization
estimates
excitation
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Antishielding of magnetic and electric hyperfine interactions in open shell ions. / Freeman, Arthur J; Watson, R. E.

In: Physical Review, Vol. 131, No. 6, 1963, p. 2566-2573.

Research output: Contribution to journalArticle

@article{8f4e33af2b074d1ca53f71eb6fe518bf,
title = "Antishielding of magnetic and electric hyperfine interactions in open shell ions",
abstract = "In a previous paper, a method was presented for determining, within the framework of the unrestricted Hartree-Fock formalism, the contribution of closed atomic shells (called Sternheimer antishielding) to magnetic and electric hyperfine interactions. We here discuss and apply this method to the study of the antishielding of both magnetic dipole and electric quadrupole interactions associated with the aspherical valence electrons of atoms and ions. In addition to closed shell antishielding, it is shown that there are repercussions within the open shell which are significant for hyperfine interactions. Results of specific computations for the free Fe2+ ion and the Cl atom are given, and comparisons are made with earlier perturbation theory results. An estimate is made of the quadrupole moment of the excited state of Fe57. Finally, the serious symmetry problem, which is associated with polarization investigations applied either to atoms or solids, is discussed.",
author = "Freeman, {Arthur J} and Watson, {R. E.}",
year = "1963",
doi = "10.1103/PhysRev.131.2566",
language = "English",
volume = "131",
pages = "2566--2573",
journal = "Physical Review",
issn = "0031-899X",
publisher = "American Institute of Physics Publising LLC",
number = "6",

}

TY - JOUR

T1 - Antishielding of magnetic and electric hyperfine interactions in open shell ions

AU - Freeman, Arthur J

AU - Watson, R. E.

PY - 1963

Y1 - 1963

N2 - In a previous paper, a method was presented for determining, within the framework of the unrestricted Hartree-Fock formalism, the contribution of closed atomic shells (called Sternheimer antishielding) to magnetic and electric hyperfine interactions. We here discuss and apply this method to the study of the antishielding of both magnetic dipole and electric quadrupole interactions associated with the aspherical valence electrons of atoms and ions. In addition to closed shell antishielding, it is shown that there are repercussions within the open shell which are significant for hyperfine interactions. Results of specific computations for the free Fe2+ ion and the Cl atom are given, and comparisons are made with earlier perturbation theory results. An estimate is made of the quadrupole moment of the excited state of Fe57. Finally, the serious symmetry problem, which is associated with polarization investigations applied either to atoms or solids, is discussed.

AB - In a previous paper, a method was presented for determining, within the framework of the unrestricted Hartree-Fock formalism, the contribution of closed atomic shells (called Sternheimer antishielding) to magnetic and electric hyperfine interactions. We here discuss and apply this method to the study of the antishielding of both magnetic dipole and electric quadrupole interactions associated with the aspherical valence electrons of atoms and ions. In addition to closed shell antishielding, it is shown that there are repercussions within the open shell which are significant for hyperfine interactions. Results of specific computations for the free Fe2+ ion and the Cl atom are given, and comparisons are made with earlier perturbation theory results. An estimate is made of the quadrupole moment of the excited state of Fe57. Finally, the serious symmetry problem, which is associated with polarization investigations applied either to atoms or solids, is discussed.

UR - http://www.scopus.com/inward/record.url?scp=12944301603&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=12944301603&partnerID=8YFLogxK

U2 - 10.1103/PhysRev.131.2566

DO - 10.1103/PhysRev.131.2566

M3 - Article

AN - SCOPUS:12944301603

VL - 131

SP - 2566

EP - 2573

JO - Physical Review

JF - Physical Review

SN - 0031-899X

IS - 6

ER -