A new approach to relativistic multi-configuration quantum mechanics in titanium

Multiply-ionized atoms in plasmas and astronomical systems are predominantly of intermediate atomic numbers with open electron shells. The spectra seen in laboratory plasmas and astrophysical plasmas are dominated by characteristic K alpha(1.2) photoemission lines. Modelling these transitions requires advanced relativistic frameworks to begin to formulate solutions. We present a new approach to relativistic multi-configuration determination of K alpha(1.2) diagram and satellite energies in titanium to a high level of convergence, allowing accurate fitting of satellite contributions and the first agreement with profile to negligible residuals. These developments also apply to exciting frontiers including temporal variation of fundamental constants, theoretical chemistry and laboratory astrophysics. (C) 2010 Elsevier B.V. All rights reserved.