1989/07/01 by Yufei Guo, M. A. Whitehead · 2 citations
Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Rare-earth and actinide compounds #Actinide #Affinities #Electron #Ion #Density functional theory #Alkaline earth metal #Electron affinity (data page) #Spin (aerodynamics) #Atomic physics #Physics #Chemistry #Alkali metal #Computational chemistry #Thermodynamics #Nuclear physics #Quantum mechanics #Molecule
paper · doi:10.1103/physreva.40.28
openalex publication_date 1989/07/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
The generalized exchange local-spin-density-functional theory with self-interaction correction and correction of the statistical exchange potential was used to calculate the electron affinities of alkaline-earth and actinide elements. The effect of relativistic correction by the mass velocity and Darwin terms and correlation correction on the electron affinities is discussed. The calculation of the negative ions shows that, although the correlation correction to the potential is very small, it is essential for obtaining converged values for most of the negative ions. The calculated results predict stable negative ions for the alkaline-earth elements Ca, Sr, Ba, and Ra, supporting the calculations of Vosko et al. [Phys. Rev. A 39, 446 (1989)] and Fischer [Phys. Rev. Lett. 59, 2263 (1987); Phys. Rev. A 39, 963 (1989)]. Estimated electron affinities for the actinide elements are given.