TY - JOUR
T1 - Ab initio calculations of the ground-state electron affinities of gallium and indium
AU - Sundholm, Dage
AU - Tokman, Maria
AU - Pyykkö, Pekka
AU - Eliav, Ephraim
AU - Kaldor, Uzi
PY - 1999/12/28
Y1 - 1999/12/28
N2 - The ground-state electron affinities of gallium and indium have been obtained by comparing electron affinities calculated at the numerical multiconfiguration Hartree-Fock level and at coupled-cluster levels using Gaussian basis sets. The relativistic corrections to the electron affinities have been calculated at the multireference valence-universal Fock-space coupled-cluster level. The obtained electron affinity for indium of 0.374(15) eV is in good 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 than the recent experimental value of 0.43(3) eV.
AB - The ground-state electron affinities of gallium and indium have been obtained by comparing electron affinities calculated at the numerical multiconfiguration Hartree-Fock level and at coupled-cluster levels using Gaussian basis sets. The relativistic corrections to the electron affinities have been calculated at the multireference valence-universal Fock-space coupled-cluster level. The obtained electron affinity for indium of 0.374(15) eV is in good 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 than the recent experimental value of 0.43(3) eV.
UR - https://www.scopus.com/pages/publications/0033358281
U2 - 10.1088/0953-4075/32/24/319
DO - 10.1088/0953-4075/32/24/319
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AN - SCOPUS:0033358281
SN - 0953-4075
VL - 32
SP - 5853
EP - 5859
JO - Journal of Physics B: Atomic, Molecular and Optical Physics
JF - Journal of Physics B: Atomic, Molecular and Optical Physics
IS - 24
ER -