The advent of the X-ray microcalorimeter spectrometer Resolve onboard the XRISM space telescope opened a new era for high-resolution X-ray spectroscopy of astrophysical plasmas. Many spectral features were newly detected, including the K alpha and K beta inner-shell transition lines of mildly ionized (F- to Li-like) Fe at 6-8 keV in the spectra of X-ray binaries and active galactic nuclei. The widely used atomic databases contain information on the K alpha but not K beta lines of these ions. We conducted the atomic structure calculation using FAC to derive the Fe K alpha and K beta lines and verified the result against ground experiments and other calculations of the Fe K alpha lines. We then implemented the Fe K beta lines in a radiative transfer code (cloudy) and compared the synthesized and observed spectra with XRISM. A reasonably good agreement was obtained between the observation and the ab initio calculations. This exemplifies the need to expand the atomic databases to interpret astrophysical spectra.

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