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

resumo

The nuclear quadrupole moment (Q) of the 5/2(+) isomeric state of 111 Cd, 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 Q = .641(25) b 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 67 Zn 5/2-ground-state quadrupole moment to Q = .125(5) b. Copyright (C) EPLA, 2017

palavras-chave

ELECTRIC-FIELD GRADIENTS; GAUSSIAN-BASIS SETS; TEMPERATURE-DEPENDENCE; CADMIUM; SPECTROSCOPY; ISOTOPES; METAL; BORON; NEON; HG

categoria

Physics

autores

Haas, H; Sauer, SPA; Hemmingsen, L; Kello, V; Zhao, PW

nossos autores

agradecimentos

We would like to thank F. Tran for advice with the hybrid DF code and J. G. Correia for the management of the PC cluster used in the DF calculations. The work presented was supported by project CERN-FIS-NUC0004-2015, by U.S. Department of Energy (DOE), Office of Science, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357 (PWZ), by Slovak Research and Development Agency, under Contract No. APVV-150105 (VK), by the Danish Center for Scientific Computing (SPAS and LH), and by the Danish Council for Independent Research in Natural Sciences, the Agency for Science, Technology and Innovation under the Ministry of Higher Education and Science, Denmark (LH).

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