29 research outputs found
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 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