SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131

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 8p1/2 electron states to be partially filled before the 7d3/2 states. The inner shell of 5g 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.