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arXiv · 1705.02783

Relativistic coupled-cluster theory analysis of unusually large correlation effects in the determination of $g_j$ factors in Ca$^+$

B. K. Sahoo·Pradeep Kumar
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Abstract

We investigate roles of electron correlation effects in the determination of the $g_j$ factors of the $4s ~ ^2S_{1/2}$, $4p ~ ^2P_{1/2}$, $4p ~ ^2P_{3/2}$, $3d ~ ^2D_{3/2}$, and $3d ~ ^2D_{5/2}$ states, representing to different parities and angular momenta, of the Ca$^+$ ion. Correlation contributions are highlighted with respect to the mean-field values evaluated using the Dirac-Hartree-Fock method, relativistic second order many-body theory, and relativistic coupled-cluster (RCC) theory with the singles and doubles approximation considering only the linear terms and also accounting for all the non-linear terms. This shows that it is difficult to achieve reasonably accurate results employing an approximated perturbative approach. We also find that contributions through the non-linear terms and higher-level excitations such as triple excitations, estimated perturbatively in the RCC method, are found to be crucial to attain precise values of the $g_j$ factors in the considered states of Ca$^+$ ion.

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B. K. Sahoo, Pradeep Kumar. 2017-05-08. Relativistic coupled-cluster theory analysis of unusually large correlation effects in the determination of $g_j$ factors in Ca$^+$. https://doi.org/10.1103/physreva.96.012511

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