Chemistry Journal of Moldova

ON THE CALCULATION OF LANTHANIDE SYSTEMS. THE SPECTRAL PARAMETERS OF PRASEODYMIUM TRIVALENT ION

Author(s):

Ana Maria Toader, Maria Cristina Buta, Fanica Cimpoesu


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2023 Volume 18, no.2
Pages: 78-86
Keywords:

lanthanide ion, luminescence, spectral term, Slater-Condon parameter, ab initio calculation.


Full Text (PDF): Download
 
https://doi.org/10.19261/cjm.2023.1146

Abstract (PDF)
Supplementary Material (PDF)

Graphical Abstract: The ab initio account of f and d electrons in lanthanide ions is assessed taking the Pr(III) ion. This shows rich experimental data and analytical tractability of spectral terms. The calculations are reaching a moderate match to experiment, the analysis identifying the actual impediments and suggesting ways of possible improvement. 



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