Atomic Characteristics of Lanthanides and Actinides

• Published in: Mathematical models and computer simulations Vol. 17; no. 4; pp. 384 - 392
• Main Author: Shpatakovskaya, G. V.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.08.2025; Springer Nature B.V
• Subjects: Actinides; Approximation; Atomic properties; Ionization potentials; Lanthanides; Mathematical Modeling and Industrial Mathematics; Mathematics; Mathematics and Statistics; Simulation and Modeling; static polarizability; atomic number scaling; heavy actinidеs; hydrogen-like filling; atomic volume; shells; quasi-classical approximation; ionization potential; rare-earth elements; open
• ISSN: 2070-0482; 2070-0490
• DOI: 10.1134/S2070048225700127

For two groups of homologs, lanthanidеs and actinidеs, the available experimental and theoretical data on static polarizability, atomic volumes, and ionization potentials necessary for the numerical simulation of various problems of chemistry and physics, in particular, nuclear power projects, are considered. The connections of these characteristics with each other established in a quasi-classical approximation are checked, and their dependencies on the atomic number are studied. It is shown that with the sequential hydrogen-like filling of the electron f -shells, this dependence is regular in both groups, which makes it possible to obtain simple, fairly accurate approximations of the studied quantities, as well as estimate the atomic volumes of heavy actinides, for which data are not available.