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Coupled Hartree-Fock calculation of static dipole polarizations of open-shell ions

✍ Scribed by H. P. Roy; A. Gupta; P. K. Mukherjee

Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
381 KB
Volume
12
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

In this paper static dipole polarizabilities and shielding factors of 3__p__ open‐shell atomic systems from A1 to C1 are presented using coupled Hartree‐Fock theory in the Roothaan scheme. The calculation was made for the ground as well as for some valence excited states of the ions. A variational approach was adopted to obtain the polarizability values and the results are compared with the existing data wherever possible. The shielding factor values are in good agreement with the theoretical N/Z ratio.

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