Relativistic Embedded Equation-of-Motion Coupled-Cluster Approach to the Core-Ionized States of Actinides: A Case Study of Uranyl(VI) in Cs${}_2$UO${}_2$Cl${}_4$

Wilken Aldair Misael, Andre Severo Pereira Gomes

We investigate the core-level ionization energies of the bare uranyl ion (UO${}_2^{2+}$) and its interaction with X-rays when it is hosted in the Cs${}_2$UO${}_2$Cl${}_4$ crystalline envir…