Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity-violation effects

Relativistic ab initio calculations have been performed to assess the suitability of RaF for experimental search of P- and T- and- P-violating interactions. The parameters of P- and T, P- odd terms of the spin-rotational Hamiltonian have been calculated for the 2 Sigma electronic ground state of the (RaF)-Ra-223 molecule. They include the W-a parameter, which is critical in the experimental search for nuclear anapole moment, and the parameters W-d and W-SP required to obtain restrictions on the electric dipole moment of the electron and T, P-odd scalar-pseudoscalar interactions, respectively. The parameter X corresponding to the volume effect in the T, P-odd interaction of the Ra-223 nuclear Schiff moment with electronic shells of RaF has also been computed. Spectroscopic and hyperfine structure constants for (RaF)-Ra-223 and Ra-223(+) have been computed as well, demonstrating the accuracy of the methods employed.