Accurate wavelengths for X-ray spectroscopy and the NIST hydrogen-like ion database

Astronomy and Astrophysics – Astrophysics

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X-Ray Spectroscopy, Database Management Systems, Dirac-Fock Calculations, X-Ray Sources (Astronomical), X-Ray, Spectroscopy And Spectrophotometry, X-Ray Spectra, Atomic And Molecular Data, Spectra, And Spectral Parameters

Scientific paper

We have developed an ab initio multi-configuration Dirac-Fock-Sturm method for the precise calculation of X-ray emission spectra, including energies, transition wavelengths and transition probabilities. The calculations are based on non-orthogonal basis sets, generated by solving the Dirac-Fock and Dirac-Fock-Sturm equations. Inclusion of Sturm functions into the basis set provides an efficient description of correlation effects in highly charged ions and fast convergence of the configuration interaction procedure.
A second part of our study is devoted to developing a theoretical procedure and creating an interactive database to generate energies and transition frequencies for hydrogen-like ions. This procedure is highly accurate and based on current knowledge of the relevant theory, which includes relativistic, quantum electrodynamic, recoil, and nuclear size effects.

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