A Program for Calculating Atomic Properties and Its Application in X-ray Spectroscopy

Astronomy and Astrophysics – Astrophysics

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The Flexible Atomic Code (FAC) is an integrated software package for the calculation of various atomic properties, such as radiative transition rates, cross sections of electron impact excitation and ionization, photoionization, autoionization, and their inverse processes, radiative and dielectronic recombination. The program is fully relativistic based on the Dirac equation. The atomic structure is solved in the configuration mixing approximation with the basis states constructed using the Dirac-Fock-Slater method. The continuum processes are treated in the distorted-wave approximation, which is valid for highly ionized ions frequently encountered in the plasma modeling for X-ray spectroscopy. Special attention is paid to the convergence of partial wave summation and the large distance contributions to the continuum radial integrals. The implementation of the factorization-interpolation procedure increases the efficiency of the program considerably, especially for large scale calculations. A flexible scripting user interface makes it easy to specify the input and schedule the computation, and therefore, allows typical calculations to be carried out with minimal understanding of theoretical atomic physics. The program should be useful in providing atomic data for the plasma modeling under a variety of physical conditions. In this talk, I will briefly discuss the theoretical background and the structure of the program. I will also present some simple example calculations to illustrate its practical usage, and compare the results with previously published work.

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