Multiconfiguration Dirac-Hartree-Fock calculations of atomic electric dipole moments of 225^Ra, 199^Hg, and 171^Yb

Abstract

The multiconfiguration Dirac-Hartree-Fock (MCDHF) method has been employed to calculate atomic electric dipole moments (EDM) of 225^Ra, 199^Hg, and 171^Yb. For the calculations of the matrix elements we extended the relativistic atomic structure package GRASP2K. The extension includes programs to evaluate matrix elements of (P, T)-odd e-N tensor-pseudotensor and pseudoscalar-scalar interactions, the atomic electric dipole interaction, the nuclear Schiff moment, and the interaction of the electron electric dipole moment with nuclear magnetic moments. The interelectronic interactions were accounted for through valence and core-valence electron correlation effects. The electron shell relaxation was included with separately optimised wave functions of opposite parities