Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet

¹ Department of Physics and CICECO, University of Aveiro - 3810-193 Aveiro, Portugal
² Department of Chemistry, University of Copenhagen - 2100 Copenhagen, Denmark
³ Department of Physical and Theoretical Chemistry, Comenius University Bratislava - 842 15 Bratislava, Slovakia
⁴ Physics Division, Argonne National Laboratory - Argonne, IL 60439, USA
⁵ EP Division, CERN - 1211 Geneve-23, Switzerland

Received: 26 February 2017
Accepted: 25 April 2017

Abstract

The nuclear quadrupole moment of the 5/2⁺ isomeric state of ¹¹¹Cd, of particular importance to the interpretation of Perturbed Angular Correlation experiments in condensed matter, was determined by combining existing PAC data with high-level ab initio (CCSD(T)) calculations for Cd-dimethyl and hybrid density functional theory for metallic Cd. A revised value of is found, much reduced from earlier estimates. Using the new result together with the values for other Cd isotopes from atomic data, also recently revised, the trend of Q for the 11/2⁻ states in Cd is in perfect agreement with new nuclear covariant density functional theory calculations. Similar theoretical work for metallic Zn and the ZnS molecule, combined with atomic calculations, also results in an equivalent reduction for the reference value of the ⁶⁷Zn 5/2⁻ ground-state quadrupole moment to .