Ab initio calculations of the ground-state electron affinities of gallium and indium

Citation
D. Sundholm et al., Ab initio calculations of the ground-state electron affinities of gallium and indium, J PHYS B, 32(24), 1999, pp. 5853-5859
Citations number
21
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
32
Issue
24
Year of publication
1999
Pages
5853 - 5859
Database
ISI
SICI code
0953-4075(199912)32:24<5853:AICOTG>2.0.ZU;2-T
Abstract
The ground-state electron affinities of gallium and indium have been obtain ed by comparing electron affinities calculated at the numerical multiconfig uration Hartree-Fock level and at coupled-cluster levels using Gaussian bas is sets. The relativistic corrections to the electron affinities have been calculated at the multireference valence-universal Fock-space coupled-clust er level. The obtained electron affinity for indium of 0.371(15) eV is in g ood agreement with the experimental value of 0.404(9) eV. For gallium, the present calculated electron affinity of 0.297(13) eV is 0.133 eV smaller th an the recent experimental value of 0.43(3) eV.