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Ground-State g Factor of Highly Charged ^{229}Th Ions: An Access to the M1 Transition Probability between the Isomeric and Ground Nuclear States.
Phys Rev Lett
January 2022
Department of Physics, St. Petersburg State University, Universitetskaya 7/9, 199034 St. Petersburg, Russia.
A method is proposed to determine the M1 nuclear transition amplitude and hence the lifetime of the "nuclear clock transition" between the low-lying (∼8 eV) first isomeric state and the ground state of ^{229}Th from a measurement of the ground-state g factor of few-electron ^{229}Th ions. As a tool, the effect of nuclear hyperfine mixing in highly charged ^{229}Th ions such as ^{229}Th^{89+} or ^{229}Th^{87+} is used. The ground-state-only g-factor measurement would also provide first experimental evidence of nuclear hyperfine mixing in atomic ions.
View Article and Find Full Text PDFCan Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?
Phys Chem Chem Phys
May 2017
Department of Chemistry, Nanoporous Materials Genome Center, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, MN 55455-0431, USA.
Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange-correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn-Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions.
View Article and Find Full Text PDFNephelauxetic effects in the electronic spectra of Pr3+.
J Phys Chem A
October 2013
Department of Science and Environmental Studies, The Hong Kong Institute of Education, 10 Lo Ping Road, Tai Po, New Territories, Hong Kong S.A.R., People's Republic of China.
The well-known nephelauxetic series of ligands describes the change in interelectronic repulsion of the central metal ion, which is reduced on going from the vapor to crystalline state. This study examines the trends and quantifies the mechanism of this series for the lanthanide ion Pr(3+), with the 4f(2) electronic configuration. A new and concise measurement by a single parameter, σee, is introduced to quantify the overall strength of interelectronic repulsion, as the alternative to the Slater parameters, F(k) (k = 2, 4, 6).
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