Towards the search of T,P-odd interactions in lead monofluoride, PbF

TL;DR

This paper uses advanced relativistic quantum chemistry methods to evaluate parameters related to T- and P-odd interactions in lead monofluoride, aiding the search for fundamental symmetry violations.

Contribution

It applies a combined relativistic coupled-clusters and effective core potential approach to accurately compute T- and P-odd interaction parameters in PbF, aligning well with experimental data.

Findings

Hyperfine constants agree with experimental values

Calculated effective electric field is 40 GV/cm

Parameters for T- and P-odd interactions are provided

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 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$_{\perp}$=-7174 MHz are stable with respect to the improvement of the correlation treatment and they are in a very good agreement with the experimental data, A$_{||}$=10147 MHz and A$_{\perp}$=-7264 MHz [PRA {\bf 84}, 022508 (2011)]. This is essential to the important task of verifying the value of effective electric field \Eeff =40 GV/cm, the parameter of P-odd interaction $W_{P}$=-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 paper.