Dirac–Fock calculations of X-ray scattering factors and contributions to the mean inner potential for electron scattering

Tables of X-ray scattering factors for naturally occurring elements and ions have been calculated using a multiconfiguration Dirac–Fock code. The complete data set takes up about 250 kbytes of space. For accurate values, it is preferable to interpolate directly. For consistency with previous work, parametric fits are also presented with error estimates and a range of validity. The limiting values of the electron scattering factor as sinθ/λ tends to zero, which are needed to calculate the mean inner potential for electron scattering, are also tabulated. The results show that the mean inner potential can be very sensitive to ionization state.