Ab initio multiconfigurational calculations of experimentally significant energy levels and transition rates in Lr i ( Z = 103 )
Year: 2025
Type: article
Abstract: Large-scale multiconfigurational calculations are conducted on experimentally significant transitions in Lr I and its lanthanide homologue Lu I, exhibiting good agreement with recent theoretical and experimental results. A single reference calculation is performed, allowing for substitutions from the core within a sufficiently large active set to effectively capture the influence of the core on the valence shells, improving upon previous multiconfigurational calculations. An additional calculation utilizing a multireference set is performed to account for static correlation effects which contribute to the wave function. Reported energies for the two selected transitions are 20 716 ± 550 c m − 1 and 28 587 ± 650 c m − 1 for 7 s 2 8 s 2 S 1 / 2 → 7 s 2 7 p 2 P 1 / 2 o and 7 s 2 7 d 2 D 3 / 2 → 7 s 2 7 p 2 P 1 / 2 o , respectively.
Source: Physical Review A
DOI: 10.1103/9p1l-xx4b
Authors: Joseph S. Andrews, Andrey I. Bondarev, Per Jönsson, Jon Grumer, Sebastian Raeder, Stephan Fritzsche, Jacek Bieroń
Language: English
Topic: Atomic and Molecular Physics
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $2,675
Awards: G1276317268, G2001806450, G2188020438, G3345895242, Kilonovae and the cosmic origin of r-process elements: atomic structure and opacities, G434337789, G4937468798, G522478768, G6281504974, Laser Ionization and Spectroscopy of Actinide elements, Atomic Data to Decipher the Cosmic Production of Heavy Elements, G7128194990, G7628805400, G7984235579, G8512683158
OpenAlex ID: W4416890391