Accurate nuclear quadrupole moment of ruthenium from the molecular method
| Autor: | Régis T. Santiago, Eriosvaldo F Gusmão, Roberto L. A. Haiduke |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Physics
Coupling constant 010304 chemical physics Nuclear Theory General Physics and Astronomy chemistry.chemical_element Electronic structure RUTÊNIO 010402 general chemistry 01 natural sciences 0104 chemical sciences Ruthenium Coupled cluster chemistry 0103 physical sciences Quadrupole Physical and Theoretical Chemistry Atomic physics Electric field gradient |
| Zdroj: | Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual) Universidade de São Paulo (USP) instacron:USP |
| ISSN: | 1089-7690 |
| Popis: | The nuclear electric quadrupole moment (NQM) of ruthenium was reevaluated by means of the molecular method. Therefore, four-component relativistic electronic structure calculations of the electric field gradient at the Ru nucleus in ruthenium monocarbide, which were done with the coupled cluster methodology and carefully augmented large basis sets, were combined with the respective nuclear quadrupole coupling constant from experiments. This provided a recommended NQM value of (425 ± 13) mbarn for 101Ru. |
| Databáze: | OpenAIRE |
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