Calculated electron affinities of the elements
Abstract
The extraelectron binding energies of the groundstate monatomic negative ions with Z<86 are calculated using the selfinteraction correction (SIC) to the local spindensity approximation (LSD) for exchange and correlation. The results agree reasonably with experiment, and the errors reflect the familiar "interconfigurational energy error" common to LSD and SIC. Some of the rare earths, e.g., Ce and possibly Gd, are predicted to form stable negative ions. In addition we have the following: (1) Relativistic (other than spinorbit) contributions to the electron affinities are included and discussed. In Au the relativistic effects boost the calculated affinity from 1.5 to 2.5 eV. (2) The doubly negative ions O^{2} and Te^{2} are predicted to have no stable ground state. (3) Electron affinities are calculated for a few excited atomic states. (4) The calculated groundstate densities n(r) of all the neutral atoms and negative ions are monotonically decreasing functions of r. (5) Corrections to the randomphaseapproximation electrongas correlation energy are shown to cancel out of SIC calculations for atoms.
 Publication:

Physical Review A
 Pub Date:
 March 1982
 DOI:
 10.1103/PhysRevA.25.1265
 Bibcode:
 1982PhRvA..25.1265C