Relativistic cluster calculation of ligand-field multiplet effects on cation $L_{2,3}$ x-ray-absorption edges of ${\mathrm{SrTiO}}_3,$ NiO, and ${\mathrm{CaF}}_2$

A totally nonempirical relativistic cluster calculation of transition-metal $L_{2,3}$-edge x-ray-absorption near-edge structure including configuration interaction has been performed. A remarkable predictive power of this calculation has been demonstrated for three contrasting materials with different d-electron numbers and different coordination numbers $({\mathrm{SrTiO}}_3,$ NiO, and ${\mathrm{CaF}}_2)$ by excellent reproduction of both the absolute peak energies and their relative intensities without any empirical parameters.