Search for parity- and time-and-parity–violation effects in lead monofluoride (PbF):<i>Ab initio</i>molecular study

Abstract

The relativistic coupled-clusters method combined with the generalized relativistic effective core potential approach and nonvariational one-center restoration technique is applied to evaluation of parameters of the spin-rotational effective Hamiltonian in lead monofluoride to study the effects of violation of time-reversal invariance $(T)$ and space parity $(P)$ in PbF. The obtained hyperfine structure constants, ${A}_{||}=9942$ MHz and ${A}_{\ensuremath{\perp}}=\ensuremath{-}7174$ MHz, are stable with respect to the improvement of the correlation treatment, and they are in very good agreement with the experimental data, ${A}_{||}=10\phantom{\rule{0.16em}{0ex}}147$ MHz and ${A}_{\ensuremath{\perp}}=\ensuremath{-}7264$ MHz [R. J. Mawhorter, B. S. Murphy, A. L. Baum, T. J. Sears, T. Yang, P. M. Rupasinghe, C. P. McRaven, N. E. Shafer-Ray, L. D. Alphei, and J.-U. Grabow, Phys. Rev. A 84, 022508 (2011); A. N. Petrov, L. V. Skripnikov, A. V. Titov, and R. J. Mawhorter, Phys. Rev. A 88, 010501(R) (2013)]. This is essential to the important task of verifying the value of effective electric field ${E}_{\mathrm{eff}}=40$ GV/cm, the parameter of $P$-odd interaction ${W}_{P}=\ensuremath{-}1213$ Hz, and the parameter of $T,P$-odd pseudoscalar-scalar electron-nucleus interaction ${W}_{T,P}=91$ kHz, which are of primary interest in the Brief Report.