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Finite-field many-body perturbation theory II. SD-MBPT study of the nuclear charge dependence of the electron correlation contribution to the dipole polarizability of 10-electron atomic systems
Authors:Geerd H F Diercksen  Andrzej J Sadlej
Institution:(1) Max-Planck-Institut für Physik und Astrophysik, Institut für Astrophysik, Karl-Schwarzchild-Str. 1, D-8046 Garching bei München, Federal Republic of Germany;(2) Chemical Center, Physical Chemistry 2, University of Lund, P.O.B. 740, S-22007 Lund 7, Sweden;(3) Present address: Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, PL-01-224 Warsaw 42, Poland
Abstract:The finite-field many-body perturbation theory limited to intermediate states involving single and double substitutions in the reference HF determinant is applied to the calculation of dipole polarizabilities of 10-electron atomic systems. The nuclear charge dependence of the convergence of the SD-MBPT series for correlation corrections to the dipole polarizability is investigated. It is concluded that the fourth-order SD-MBPT scheme is quite appropriate for neutral and positively charged species. For negatively charged systems the convergence of the SD-MBPT series becomes much poorer and including higher-order substitutions may be necessary. The role of the renormalization contributions to the SD-CI polarizability results is also considered. It follows that the corresponding data need to be corrected for the erratic treatment of unlinked clusters. The size inconsistency effects make quite important contributions to the SD-CI values of the correlation corrections to dipole polarizabilities.
Keywords:Finite-field many-body perturbation theory  Dipole-polarizability  Nuclear charge dependence  10-Electron atomic systems  F    Ne  Na+
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