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arXiv · 0912.3681

Properties from relativistic coupled-cluster without truncation: hyperfine constants of $^{25}{\rm Mg}^+$, $^{43}{\rm Ca}^+ $, $^{87}{\rm Sr}^+ $ and $^{137}{\rm Ba}^+$

B. K. Mani·D. Angom
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Abstract

We demonstrate an iterative scheme for coupled-cluster properties calculations without truncating the dressed properties operator. For validation, magnetic dipole hyperfine constants of alkaline Earth ions are calculated with relativistic coupled-cluster and role of electron correlation examined. Then, a detailed analysis of the higher order terms is carried out. Based on the results, we arrive at an optimal form of the dressed operator. Which we recommend for properties calculations with relativistic coupled-cluster theory.

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B. K. Mani, D. Angom. 2009-12-25. Properties from relativistic coupled-cluster without truncation: hyperfine constants of $^{25}{\rm Mg}^+$, $^{43}{\rm Ca}^+ $, $^{87}{\rm Sr}^+ $ and $^{137}{\rm Ba}^+$. https://doi.org/10.1103/physreva.81.042514

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