Towards the electron EDM search. Theoretical study of PbF

Abstract

We report ab initio relativistic correlation calculations of potential curves and spectroscopic constants for four lowest-lying electronic states of the lead monofluoride. We also calculated parameters of the spin-rotational Hamiltonian for the ground and the first excited states including P,T-odd and P-odd terms. In particular, we have obtained hyperfine constants of the $^{207}$Pb nucleus. For the $^2\Pi_{1/2}$ state $A_\perp=-6859.6$ MHz, $A_\|=9726.9$ MHz and for the A$^2\Sigma^+_{1/2}$ $A_\perp=1720.8$ MHz, $A_\|=3073.3$ MHz. Our values of the ground state hyperfine constants are in good agreement with the previous theoretical studies. We discuss and explain seeming disagreement in the sign of the constant $A_\perp$ with the recent experimental data. The effective electric field on the electron $E_{eff}$, which is important for the planned experiment to search for the electric dipole moment of the electron, is found to be 3.3 * 10^{10} V/cm.