Electron affinities for rare gases and some actinides from local-spin-density-functional theory

Journal Article · Fri Dec 01 00:00:00 EST 1989 · Physical Review (Section) A: General Physics; (USA)

DOI:https://doi.org/10.1103/PhysRevA.40.6685· OSTI ID:7163703

Guo, Y; Wrinn, M C; Whitehead, M A ^[1]

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1. Theoretical Chemistry Group, Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, Quebec, Canada H3A2K6 (CA)

The negative ions of the rare gases (He, Ne, Ar, Kr, Xe, and Rn) and some actinides (Pu, Am, Bk, Cf, and Es) have been calculated self-consistently by the generalized exchange local-spin-density-functional theory with self-interaction correction and correlation. The electron affinities were obtained as the differences between the statistical total energies of the negative ions and neutral atoms; the electron affinities were positive around several millirydbergs. Consequently, the negative ions are predicted stable for the rare gases and actinides.

• OSTI ID: 7163703
• Journal Information: Physical Review (Section) A: General Physics; (USA), Vol. 40:11; ISSN 0556-2791
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
AMERICIUM
AFFINITY
BERKELIUM
CALIFORNIUM
EINSTEINIUM
PLUTONIUM
RARE GASES
ANIONS
ATOMIC IONS
ELECTRONIC STRUCTURE
STABILITY
ACTINIDES
CHARGED PARTICLES
ELEMENTS
FLUIDS
GASES
IONS
METALS
NONMETALS
TRANSPLUTONIUM ELEMENTS
TRANSURANIUM ELEMENTS
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory