A vibrational correction to coherent x-ray scattering intensities of diatomic molecules

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Abstract
Born’s theory for the vibrational averaging of coherent x‐ray scattering has been implemented with the use of generalized x‐ray scattering factors. Estimates at 300 and 2000 °K for H2, N2, and CO are reported, where the generalized x‐ray scattering factors are truncated at the quadrupole level. The vibrational effect gives a scattered intensity which oscillates about the intensity of the nonvibrating molecule with increasing scattering angle. The estimated vibrational correction is no larger than 1% for N2 and CO over the range of the scattering vector (S?15.5 bohr−1 or sinϑ/λ?2.33 Å−1) used in this work. For H2, however, the correction is as large as 5%.