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

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.

References in corpus (12)

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• Model-QED operator for superheavy elements
• High-precision ab initio calculations of the spectrum of Lr${}^{+}$
• Ab initio calculations of the spectrum of lawrencium
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• Relativistic coupled cluster calculations of the electron affinity and ionization potential of Nh(113)

Cited by in corpus (3)

• Estimating complete basis set extrapolation error through random walk
• QED calculations of the E1 transition amplitude in neon-like iron and nickel
• $\text{Ab initio}$ multiconfigurational calculations of experimentally significant energy levels and transition rates in Lr I $\left(Z=103\right)$