The nuclear electric quadrupole moment of antimony from the molecular method.
Relativistic Dirac-Coulomb (DC) Hartree-Fock calculations are employed to obtain the analytic electric field gradient (EFG) on the antimony nucleus in the SbN, SbP, SbF, and SbCl molecules. The electronic correlation contribution to the EFGs is included with the DC-CCSD(T) and DC-CCSD-T approaches, also in the four-component framework, using a finite-difference method. The total EFG results, along with the experimental nuclear quadrupole coupling constants from microwave spectroscopy, allow to derive the nuclear quadrupole moments of (121)Sb and (123)Sb, respectively, as -543(11) and -692(14) mb.
Haiduke
Roberto L A
RL
Departamento de Química e Física Molecular, Instituto de Química de São Carlos, C.P. 780, São Carlos, São Paulo 13560-970, Brazil.
da Silva
Albérico B F
AB
Visscher
Lucas
L