Fock-space perturbed relativistic coupled-cluster theory for electric dipole polarizability of one-valence atomic systems: Application to Al and In

PHYSICAL REVIEW A(2022)

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摘要
We have developed a Fock-space relativistic coupled-cluster theory-based method for the calculation of electric dipole polarizability of one-valence atoms and ions. We employ this method to compute the ground-state and spin-orbit coupled excited state electric dipole polarizability of Al and In. To check the quality of many-electron wave functions, we also compute the excitation energies of some low-lying states of Al and In. The effects of the Breit interaction and QED corrections from the Uehling potential and the self-energy are included to improve the accuracy of alpha further. Our recommended values of the ground-state alpha for both atoms are in good agreement with the previous theoretical results. From our computations, we find that more than 65% of contributions come from the dipolar mixing of 3p(5p) with 3d(5d) and 4s(6s) electrons for Al(In). The largest Breit and QED contributions are found to be 1.3% and 0.6%, respectively.
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关键词
electric dipole polarizability,atomic systems,fock-space,coupled-cluster,one-valence
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