Theoretical Study of the PbF and PbO Molecules

Details Theoretical Study of the PbF and PbO Molecules Theoretical Study of the PbF and PbO Molecules

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confera05p&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Physics

Mini-Symposium: Fundamental Physics

Scientific paper

Planned experiments to search for the simultaneous violation of the
time-reversal invariance (T) and space parity (P) have motivated interest
to
the theoretical study of the PbF and PbO molecules. % In this work we use the configuration interaction method with the generalized relativistic effective core potential for calculation of the spin-rotational Hamiltonian for the ground ^2Π1/2 and the first excited A^2Σ^+1/2 states of the PbF including P,T-odd and P-odd terms. In particular, we have obtained hyperfine constants
on the 207Pb nucleus. For the ^2Π1/2 state A_⊥=-6859.6 MHz, A_|=9726.9 MHz and for the A^2Σ^+1/2 A_⊥=1720.8 MHz, A_|=3073.3 MHz. Our values are in good agreement with recent experimental data. The effective electric field on the electron, which is
required for interpretation of the results of the planned experiment in terms
of eEDM is found to be 3.3 × 1010{V/cm}. %
The same method was used for calculation of the PbO molecule. The main goal is
to clarify role of
interaction with the nearest electronic state
^3Σ^+0^- on the hyperfine structure and magnetic properties of the
a(1)[^3Σ^+_1] state of PbO. The accounting for this contribution leads
to the difference between g-factors of the J=1 Ω-doublet levels,
Δ g = 37×10-4, which is in
good agreement with the experimental
data Δ g = 30(8)×10-4. The contribution of this interaction
rapidly grows with J. For J=30 the difference of g-factors of
Ω-doublet states reaches 100%; for hyperfine constants it reaches 18%.
These differences also depend on the electric field, and for E=11 V/cm
for
207PbO the difference in g-factors
turns
to zero. The latter is
important for suppressing systematic effects in the electron electric dipole
moment search experiment.

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