Calculation of the parity- and time-reversal-violating interaction in 225RaO

The ten-electron generalized relativistic effective core potential and the corresponding correlation spin-orbital basis sets are generated for the Ra atom and the relativistic coupled-cluster calculations for the RaO molecule are performed. The main goal of the study is to evaluate the T, P-odd parameter X characterized by the molecular electronic structure and corresponding to a volume effect in the interaction of the Ra-225 nucleus Schiff moment with electronic shells of RaO. Our final result for X((RaO)-Ra-225) is -7532 which is surprisingly close to that in (TlF)-Tl-205 but has a different sign. The obtained results are discussed and the quality of the calculations is analyzed. The value is of interest for a proposed experiment on RaO [Phys. Rev. A 77, 024501 (2008)] due to a very large expected Schiff moment of the Ra-225 nucleus. 10.1103/PhysRevA.87.020102