9–14 Jun 2019
Balaton Limnological Research Institute of the Hungarian Academy of Sciences
Europe/Budapest timezone

Study of the valence electronic density distribution in Z=112-120 atoms

12 Jun 2019, 12:00
20m
Balaton Limnological Research Institute of the Hungarian Academy of Sciences

Balaton Limnological Research Institute of the Hungarian Academy of Sciences

H-8237 Tihany, Klebelsberg Kuno str. 3, Hungary

Speaker

M. Y. Kaygorodov (St. Petersburg State University)

Description

In the present report, localization properties of valence electronic density are studied for superheavy atoms in the range 112 ≤ Z ≤ 120. Atomic shell structure is revealed by means of electronic localization function in the Dirac-Fock approximation (ELF) [1]. Predictions for the radii and widths of the valence shells based on the ELF are compared with the radii and widths of the related Dirac-Fock orbitals. The data obtained for superheavy atoms with 112 ≤ Z ≤ 120 are compared with the corresponding results for atoms with 30 ≤ Z ≤ 38 and 80 ≤ Z ≤ 88. The influence of the relativistic effects on the distribution of the valence electronic density is estimated by performing the related calculations in the non-relativistic limit.

[1]. A.D. Becke, K.E. Edgecombe, J. Chem. Phys. 92, 5397 (1990).

Author

M. Y. Kaygorodov (St. Petersburg State University)

Co-authors

I. I. Tupitsyn V.M. Shabaev Y. S. Kozhedub

Presentation materials