Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree--Fock--Slater calculations

Journal Article · Wed Sep 01 04:00:00 EDT 1976 · At. Data Nucl. Data Tables; (United States)

DOI:https://doi.org/10.1016/0092-640X(76)90027-9· OSTI ID:7240187

Huang, K N ^[1]; Aoyagi, M; Chen, M H; Crasemann, B; Mark, H

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1. Univ. of Oregon, Eugene

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 less than or equal to Z less than or equal to 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 less than or equal to Z less than or equal to 106. A self-energy correction is included for the 1s, 2s, and 2p/sub /sup 1///sub 2// levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

• OSTI ID: 7240187
• Journal Information: At. Data Nucl. Data Tables; (United States), Journal Name: At. Data Nucl. Data Tables; (United States) Vol. 18:3; ISSN ADNDA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ATOMS
BINDING ENERGY
CORRECTIONS
ENERGY
ENERGY RANGE
FUNCTIONS
HAMILTONIANS
HARTREE-FOCK METHOD
INFORMATION
MATHEMATICAL OPERATORS
QUANTUM OPERATORS
RELATIVISTIC RANGE
TABLES
WAVE FUNCTIONS