Electron Correlation in the Lanthanides: $4f^2$ spectrum of Ce$^{2+}$

Charlotte Froese Fischer; Michel R. Godefroid

doi:10.1103/physreva.99.032511

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arXiv · 1906.00842

Electron Correlation in the Lanthanides: $4f^2$ spectrum of Ce$^{2+}$

Charlotte Froese Fischer·Michel R. Godefroid

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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.

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Charlotte Froese Fischer, Michel R. Godefroid. 2019-06-03. Electron Correlation in the Lanthanides: $4f^2$ spectrum of Ce$^{2+}$. https://doi.org/10.1103/physreva.99.032511

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