Multi-configuration Dirac-Fock calculations of the hyperfine structure constants A and B of neutral Cu, Ag and Au

The multi-configuration Dirac-Fock method has been employed to calculate the magnetic dipole hyperfine structure constant A and the electric quadrupole hyperfine structure constant B of neutral Cu, Ag and Au. The contributions from Breit interaction, quantum electrodynamics (QED) corrections, core valence correlations, core-core correlations and Bohr-Weisskopf correction have been taken into account. Through the use of the active space method, the calculated values of the magnetic dipole hyperfine structure constant A of the ground state are compared with the other available data and are found to be in good agreement with them. In this paper we give the magnetic dipole hyperfine structure constant and the electric quadrupole hyperfine structure constant of 4s S-2(1/2), 4p P-2(1/2) and P-2(3/2) of Cu, 5s S-2(1/2), 5p P-2(1/2) and P-2(3/2) of Ag, 6s S-2(1/2), 6p P-2(1/2) and P-2(3/2) of Au. The hyperfine splits of these ground states are also calculated. These data provide reference values for a variety of scientific applications, especially for an atomic clock.OpticsPhysics, Atomic, Molecular & ChemicalSCI(E)EI0ARTICLE3475-4844