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Coupled Hartree-Fock calculation of the uniform field quadrupole polarizabilities and shielding factors of S-state ions

✍ Scribed by A. K. Bhattacharya; P. K. Mukherjee

Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
403 KB
Volume
7
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Uniform field quadrupole polarizabilities and shielding factors of the first three ions of 2‐, 3‐, and 4‐electron sequences in their ground states have been calculated in the coupled Hartree‐Fock (CHF) scheme. For comparison the uncoupled Hartree‐Fock (UHF) results are also presented. It is observed that the uniform field quadrupole polarizabilities differ slightly in the two schemes and agree well with the UHF results of Lyons, Langhoff and Hurst. However the shielding factors differ appreciably in the two schemes and are completely different from those of Lyons et al. The cause of the difference in the shielding factor values is investigated.

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