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JOURNALS // Matematicheskoe modelirovanie // Archive

Mat. Model., 2025 Volume 37, Number 2, Pages 16–28 (Mi mm4594)

Atomic characteristics of lanthanoidås and actinoidås

G. V. Shpatakovskaya

Keldysh Institute of Applied Mathematics of the RAS

Abstract: For two groups of homologues, lanthanoidås and actinoidås, the available experimental and theoretical data on static polarizability, atomic volumes and ionization potentials necessary for 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 have been checked, and their dependencies on the atomic number have been investigated. 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 to estimate the atomic volumes of heavy actinides, for which data are not available.

Keywords: rare-earth elements, heavy actinoidås, hydrogen-like filling, open f-shells, static polarizability, atomic volume, ionization potential, quasi-classical approximation, atomic number scaling.

Received: 07.10.2024
Revised: 07.10.2024
Accepted: 11.11.2024

DOI: 10.20948/mm-2025-02-02



© Steklov Math. Inst. of RAS, 2025