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arXiv · 2405.20572

Relativistic coupled cluster calculations of the electron affinity and ionization potentials of lawrencium

Yangyang Guo·Lukáš F Pašteka·Yuichiro Nagame·Tetsuya K. Sato·Ephraim Eliav·Marten L. Reitsma·Anastasia Borschevsky
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Abstract

The calculations of the first and the second ionization potentials of lawrencium and lutetium and the electron affinity of lawrencium are performed within the relativistic coupled cluster framework. These results are corrected by including the contributions of extrapolation to the complete basis set limit and higher order contributions due to relativity and electron correlation. The excellent agreement between our predictions of the ionization potentials of Lu and Lr and experimental values supports the accuracy of our predictions of the second ionization potential and the electron affinity of Lr.

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Yangyang Guo, Lukáš F Pašteka, Yuichiro Nagame, Tetsuya K. Sato, Ephraim Eliav, Marten L. Reitsma, Anastasia Borschevsky. 2024-05-31. Relativistic coupled cluster calculations of the electron affinity and ionization potentials of lawrencium. https://doi.org/10.1103/physreva.110.022817

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