Accurate multiconfiguration calculations of energy levels, lifetimes, and transition rates for the silicon isoelectronic sequence

Ti IX – Ge XIX, Sr XXV, Zr XXVII, Mo XXIX^⋆

¹ Group for Materials Science and Applied Mathematics, Malmö University, Sweden
e-mail: per.jonsson@mah.se
² Institute of Theoretical Physics and Astronomy, Vilnius University, A. Goštauto 12, 01108 Vilnius, Lithuania
³ Chimie Quantique et Photophysique, Université Libre de Bruxelles, 1050 Brussels, Belgium
⁴ BioISI – Biosystems & Integrative Sciences Institute, Faculdade de Ciências da Universidade de Lisboa, 1749-016 Lisbon, Portugal
⁵ Division of Mathematical Physics, Department of Physics, Lund University, 22100 Lund, Sweden
⁶ National Institute of Standards and Technology, Gaithersburg, MD 20899, USA
⁷ Oxford University, Mathematical Institute, Oxford OX2 6GG, UK
⁸ Cambridge University, Department of Applied Mathematics and Theoretical Physics, Centre for Mathematical Sciences, Cambridge CB3 0WA, UK

Received: 3 August 2015
Accepted: 11 September 2015

Abstract

Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations and relativistic configuration interaction (RCI) calculations are performed for states of the 3s²3p², 3s3p³ and 3s²3p3d configurations in the Si-like ions Ti IX – Ge XIX, Sr XXV, Zr XXVII and Mo XXIX. Valence and core-valence electron correlation effects are accounted for through large configuration state function expansions. Calculated energy levels are compared with data from other calculations and with experimental data from the reference databases. Lifetime and transition rates along with uncertainty estimations are given for all ions. Energies from the calculations are in excellent agreement with observations and computed wavelength are almost of spectroscopic accuracy, aiding line identification in spectra.