SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131
- 15 September 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 53 (6) , 2397-2406
- https://doi.org/10.1063/1.1674338
Abstract
The energies of a number of configurations of the elements with atomic numbers 118–131 were computed by means of the relativistic Hartree–Fock method to establish the probable ground states. The series of elements beginning at 121 differs markedly from the lanthanide and actinide series because spinp–orbit and direct relativistic effects cause the electron states to be partially filled before the states. The inner shell of electrons begins to fill at element 125. The Breit magnetic interaction energy is calculated by a perturbation method; an approximate correlation energy correction is included. Isotopic mass effects on the atom total energy and on the electron eigenvalues are discussed.
Keywords
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