The nuclear electric quadrupole moment of hafnium from the molecular method
| Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
|---|---|
| Data(s) |
07/11/2013
07/11/2013
2012
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| Resumo |
The molecular method is used to obtain nuclear electric quadrupole moment (NQM) values for hafnium through electric field gradients (EFGs) at this nucleus in HfO and HfS. Dirac-Coulomb calculations with the Coupled Cluster approach, DC-CCSD (T) and DC-CCSD-T, were carried out to achieve the most accurate estimates of these EFGs. Higher order corrections are also added. Hence, the most reliable values for 177Hf and 179Hf determined here are 3319(33) and 3750(37) mbarn, respectively, in nice accordance with the best currently accepted NQMs for this element. (C) 2012 Elsevier B.V. All rights reserved. FAPESP (Brazilian agency) Brazilian agency FAPESP CNPq |
| Identificador |
CHEMICAL PHYSICS LETTERS, AMSTERDAM, v. 544, n. 6,p. 13-16, AUG 20, 2012 0009-2614 http://www.producao.usp.br/handle/BDPI/43297 10.1016/j.cplett.2012.07.002 |
| Idioma(s) |
eng |
| Publicador |
ELSEVIER SCIENCE BV AMSTERDAM |
| Relação |
CHEMICAL PHYSICS LETTERS |
| Direitos |
closedAccess Copyright ELSEVIER SCIENCE BV |
| Palavras-Chave | #GAUSSIAN-BASIS SETS #ROTATIONAL SPECTRUM #HFO #CHEMISTRY, PHYSICAL #PHYSICS, ATOMIC, MOLECULAR & CHEMICAL |
| Tipo |
article original article publishedVersion |
