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

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

2012-01-03

arxiv.org/abs/1201.0582v3

Physics

Atomic Physics

1 figure

Scientific paper

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.

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