Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations 2 ≤ Z ≤ 106

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Abstract

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wavefunctions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers 2 ≤ Z ≤ 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms with 2 ≤ Z ≤ 106. A self-energy correction is included for the 1s, 2s, and 2p12 levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

References (35)

  • C.C. Lu

    Atomic Data

    (1971)
  • J.B. Mann et al.

    Atomic Data

    (1973)
  • J.P. Desclaux

    Atomic Data and Nuclear Data Tables

    (1973)
  • D.A. Liberman et al.

    Comp. Phys. Commun.

    (1971)
  • J.A. Bearden et al.

    Rev. Mod. Phys.

    (1967)
  • K. Siegbahn
  • K. Siegbahn
  • M.O. Krause
  • U. Gelius

    Phys. Fennica

    (1974)
  • K.D. Sevier
  • A. Rosén et al.

    Phys. Rev.

    (1968)
  • J.C. Slater

    Phys. Rev.

    (1951)
  • W. Kohn et al.

    Phys. Rev.

    (1965)
  • R. Gáspár

    Acta Phys. Acad. Sci. Hung.

    (1954)
  • R.D. Cowan

    Phys. Rev.

    (1966)
  • R. Latter

    Phys. Rev.

    (1955)
  • Cited by (0)

    Work supported in part by the U.S. Army Research Office (Grant DAHCO4-75-G-0021) and by the National Aeronautics and Space Administration (Grant NGR 38-003-036)

    Visiting scientist. Permanent address: Department of Physics, University of Oregon, Eugene, Oregon 97403

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