Electron correlation in the lanthanides:4f2spectrum ofCe2+

Abstract

Atoms and ions of Lanthanides have multiple opens shells along with an open $4f^k$ subshell. This paper studies the effect of electron correlation in such systems and how wave functions can be determined for the accurate prediction of atomic properties in the case of Ce$^{2+}$ where $k=2$, using the multireference single- and double-excitation method. An efficient higher-order method is recommended for more reliable results.