Electric dipole moment of the electron in YbF molecule

Ab initio calculation of the hyperfine, P-odd, and P,T-odd constants for the YbF molecule was performed with the help of the recently developed technique, which allows to take into account correlations and polarization in the outercore region. The ground state electronic wave function of the YbF molecule is found with the help of the Relativistic Effective Core Potential method followed by the restoration of molecular four-component spinors in the core region of ytterbium in the framework of a non-variational procedure. Core polarization effects are included with the help of the atomic Many Body Perturbation Theory for Yb atom. For the isotropic hyperfine constant A, accuracy of our calculation is about 3% as compared to the experimental datum. The dipole constant Ad (which is much smaller in magnitude), though better than in all previous calculations, is still underestimated by almost 23%. Being corrected within a semiempirical approach for a perturbation of 4f-shell in the core of Yb due to the bond making, this error is reduced to 8%. Our value for the effective electric field on the unpaired electron is 4.9 a.u.=2.5E+10 V/cm.Comment: 7 pages, REVTE

Enhancement of the electric dipole moment of the electron in the YbF molecule

We calculate an effective electric field on the unpaired electron in the YbF molecule. This field determines sensitivity of the molecular experiment to the electric dipole moment of the electron. We use experimental value of the spin-doubling constant to estimate the admixture of the configuration with the hole in the 4f-shell of Ytterbium to the ground state of the molecule. This admixture reduces the field by 7%. Our value for the effictive field is 5.1 a.u. = 2.5 10^{10} V/cm.Comment: 5 pages, LATEX, uses revtex.st

Using Molecules to Measure Nuclear Spin-Dependent Parity Violation

Nuclear spin-dependent parity violation arises from weak interactions between electrons and nucleons, and from nuclear anapole moments. We outline a method to measure such effects, using a Stark-interference technique to determine the mixing between opposite-parity rotational/hyperfine levels of ground-state molecules. The technique is applicable to nuclei over a wide range of atomic number, in diatomic species that are theoretically tractable for interpretation. This should provide data on anapole moments of many nuclei, and on previously unmeasured neutral weak couplings

Extension of the Schiff theorem to ions and molecules

According to the Schiff theorem the nuclear electric dipole moment (EDM) is screened in neutral atoms. In ions this screening is incomplete. We extend a derivation of the Schiff theorem to ions and molecules. The finite nuclear size effects are considered including Z^2 alpha^2 corrections to the nuclear Schiff moment which are significant in all atoms and molecules of experimental interest. We show that in majority of ionized atoms the nuclear EDM contribution to the atomic EDM dominates while in molecules the contribution of the Schiff moment dominates. We also consider the screening of electron EDM in ions

Enhancement of the electric dipole moment of the electron in BaF molecule

We report results of ab initio calculation of the spin-rotational Hamiltonian parameters including P- and P,T-odd terms for the BaF molecule. The ground state wave function of BaF molecule is found with the help of the Relativistic Effective Core Potential method followed by the restoration of molecular four-component spinors in the core region of barium in the framework of a non-variational procedure. Core polarization effects are included with the help of the atomic Many Body Perturbation Theory for Barium atom. For the hyperfine constants the accuracy of this method is about 5-10%.Comment: 8 pages, REVTEX, report at II International Symposium on Symmetries in Subatomic Physics, Seattle 199