Relativistic ab initio calculations of the P-odd interaction constant W_A in diatomic molecules

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 --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.