P-odd interaction constantWAfrom relativisticab initiocalculations of diatomic molecules

Abstract

We present ab initio calculations of the ${W}_{A}$ parameter of the $P$-odd spin-rotational Hamiltonian for a variety of diatomic molecules, including the group 2 and group 12 halides. The results were obtained by relativistic Dirac-Hartree-Fock and density functional theory approaches and corrected for core polarization effects. Strong enhancement of ${W}_{A}$ is found for the group 12 diatomic halides, which should be helpful in future determination of the nuclear anapole moment.