The nuclear electric quadrupole moment of copper

Author(s)

Santiago, Regis Tadeu ^[1] ; Teodoro, Tiago Quevedo ^[1] ; Andrade Haiduke, Roberto Luiz ^[1]

Affiliation

^[1] Univ Sao Paulo, Inst Quim Sao Carlos, Dept Quim & Fis Mol, BR-13560970 Sao Carlos, SP - Brazil

• Document type: Journal article
• Source: Physical Chemistry Chemical Physics; v. 16, n. 23, p. 11590-11596, 2014.
• Web of Science Citations: 10

Abstract

The nuclear electric quadrupole moment (NQM) of the Cu-63 nucleus was determined from an indirect approach by combining accurate experimental nuclear quadrupole coupling constants (NQCCs) with relativistic Dirac-Coulomb coupled cluster calculations of the electric field gradient (EFG). The data obtained at the highest level of calculation, DC-CCSD-T, from 14 linear molecules containing the copper atom give rise to an indicated NQM of -198(10) mbarn. Such result slightly deviates from the previously accepted standard value given by the muonic method, -220(15) mbarn, although the error bars are superimposed. (AU)

• FAPESP's process: 12/22143-5 - Development of polarized relativistic Gaussian-type basis sets and relativistic applications
• Grantee: Tiago Quevedo Teodoro
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 10/18743-1 - Employment of multipoles from the quantum theory of atoms in molecules and kinetic studies in systems found in the interstellar medium
• Grantee: Roberto Luiz Andrade Haiduke
• Support Opportunities: Regular Research Grants