Ab initio calculations of the spectrum of lawrencium

Abstract

Planned optical spectroscopy experiments in lawrencium (Lr, Z = 103) require accurate theoretical predictions of the location of spectral lines in order to narrow the experimental search window. We present ab initio calculations of the atomic energy levels, transition amplitudes and g-factors for lawrencium, as well as its lighter homologue lutetium (Lu, Z = 71). We use the configuration interaction with many-body perturbation-theory (CI+MBPT) method to calculate energy levels and transition properties, and benchmark the accuracy of our predicted energies using relativistic coupled-cluster codes. Our results are numerically converged and in close agreement with experimentally measured energy levels for Lu, and we expect a similar accuracy for Lr. These systematic calculations have identified multiple transitions of experimental utility and will serve to guide future experimental studies of Lr.

13 pages, 4 figures, 7 tables

References in corpus (4)

• Combining configuration interaction with perturbation theory for atoms with large number of valence electrons
• Atomic properties of superheavy elements No, Lr, and Rf
• Recent progress in laser spectroscopy of the actinides
• High-precision ab initio calculations of the spectrum of Lr${}^{+}$

Cited by in corpus (6)

• Generalized relativistic small-core pseudopotentials accounting for quantum electrodynamic effects: construction and pilot applications
• Relativistic coupled cluster calculations of the electron affinity and ionization potentials of lawrencium
• State-specific ion mobilities of Lr^+ (Z = 103) in helium
• Relativistic atomic structure calculations in support of spectroscopy
• $\text{Ab initio}$ multiconfigurational calculations of experimentally significant energy levels and transition rates in Lr I $\left(Z=103\right)$
• Ab initio calculations of the electronic structure of Ac${}^{+}$