What question did this study set out to answer?

The aim is to report relativistic X-ray scattering factors for chemically relevant atomic anions across atomic numbers Z=1-85.

Relativistic Dirac–Hartree–Fock X-ray scattering factors. III. Chemically relevant atomic anions for Z = 1–85

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This randomized trial analyzes X-ray scattering factors in atomic anions, indicating their significance in electronic structure and crystallography.

The aim is to report relativistic X-ray scattering factors for chemically relevant atomic anions across atomic numbers Z=1-85.
Dirac-Hartree-Fock wavefunctions generated using DFRATOM code.
X-ray scattering factors computed with systematic confinement to stabilize anionic states.
Comparison with benchmark energies and established reference data for neutral atoms and monovalent anions.
X-ray scattering factors show systematic enhancement at small momentum transfer due to increased valence electron density.
Core electron contributions remain consistent across regions of high momentum transfer.
A broad, internally consistent reference set of X-ray scattering factors for multivalent anions is established.

Copeland et al. (2026) studied this question.

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This randomized trial analyzes X-ray scattering factors in atomic anions, indicating their significance in electronic structure and crystallography.