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Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S states

x and Paulus, Beate – 2013

We present static electric dipole polarizabilitiesαd(Z, N) from numerical nonrelativistic re-stricted Hartree-Fock (RHF) finite-field calculations for high-spin open-shell S states (L=0)ofatomsandisoelectronic ions withN≤55 electrons. All these S states result from one or more half-filled shells. Foreight isoelectronic sequences, those withN= 3, 7, 11, 15, 23, 29, 33 or 41 electrons where the electronicground state of the neutral or nearly neutral members is conserved upon increase of the nuclear chargenumberZ, polarizability data are given for ions with charge numberQ=Z−Nup toQ= 90. In ad-dition, these data are represented in terms of rational functions ofQ(with absolute value of the relativeerror of the fit always below 4%). The rational functions are comparable to the classical nonrelativisticresultαd(Z,1) = 4.5/Z4=4.5/(Q+1)4for the polarizability of the2S ground state of a hydrogen-likesystem. Our results also contribute to constitute a reference database (i) for algebraic approaches relyingon basis functions, and (ii) for the discussion of relativistic and correlation effects on polarizabilities alongisoelectronic sequences.

Title
Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S states
Author
x and Paulus, Beate
Date
2013
Identifier
DOI: 10.1140/epjd/e2013-40191-5
Source(s)
Citation
Eur. Phys. J. D 2013, 67, 139