Transition energies of atomic lawrencium

Abstract.

Transition energies of the superheavy element lawrencium, including the ionization potential, excitation energies and electron affinities, are calculated by the intermediate Hamiltonian coupled cluster method. A large basis set (37s31p26d21f16g11h6i) is used, as well as an extensive P space (6s5p4d2f1g). The outer 43 electrons are correlated. Accuracy is monitored by applying the same approach to lutetium, the lighter homologue of Lr, and comparing with experimentally known energies. QED corrections are included. The main goal is to predict excitation energies, in anticipation of planned spectroscopy of Lr. The ground state of Lr is $7s^27p\ ^2{\rm P}_{1/2}$, unlike the $5d6s^2\ ^2{\rm D}_{3/2}$ of Lu. Predicted Lr excitations with large transition moments in the prime range for the planned experiment, 20 000–30 000 cm^-1, are 7p→8s at 20 100 cm^-1 and 7p→7d at 28 100 cm^-1. The average absolute error of 20 excitation energies of Lu is 423 cm ^-1, and the error limits for Lr are put at 700 cm^-1. The two electron affinities measured recently for Lu are reproduced within 55 cm^-1, and a third bound state of Lu^- is predicted.