Abstract
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 -odd parameter characterized by the molecular electronic structure and corresponding to a “volume effect” in the interaction of the Ra nucleus Schiff moment with electronic shells of RaO. Our final result for RaO is which is surprisingly close to that in TlF 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 nucleus.
- Received 24 November 2012
DOI:https://doi.org/10.1103/PhysRevA.87.020102
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