Quadrupole antishielding factors for some 3d5, 4d5, and 5d5 ions

Sen, K. D. ; Narasimhan, P. T. (1976) Quadrupole antishielding factors for some 3d5, 4d5, and 5d5 ions Physical Review A, 14 (2). pp. 539-542. ISSN 1050-2947

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Official URL: http://pra.aps.org/abstract/PRA/v14/i2/p539_1

Related URL: http://dx.doi.org/10.1103/PhysRevA.14.539

Abstract

With the use of restricted numerical Hartree-Fock-Slater wave functions and the perturbation-numerical approach of Sternheimer, the ionic antishielding factor γ has been calculated for the following three isoelectronic series of ions: Cr+, Mn2+, Fe3+, Co4+, Ni5+, Cu6+; Mo+, Tc2+, Ru3+, Rh4+, Pd5+, Ag6+; and W+, Re2+, Os3+, Ir4+, Pt5+, Au6+. For the ions of the first two series, γ values have been correlated to their distance of outermost maximum in the total radial electron density distribution function. Also, it has been observed that within an isoelectronic series, γ values can be satisfactorily represented in terms of a polynomial in Z−1, the reciprocal of atomic number.

Item Type:Article
Source:Copyright of this article belongs to American Physical Society.
ID Code:45057
Deposited On:24 Jun 2011 13:29
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