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arxiv: 1602.08200 · v1 · pith:MP6PDJL5new · submitted 2016-02-26 · ⚛️ physics.atom-ph · physics.chem-ph

Relativistic coupled-cluster study of RaF as a candidate for parity and time reversal violating interaction

classification ⚛️ physics.atom-ph physics.chem-ph
keywords z-vectoraccuracyapproachcalculationcandidatecoupled-clusteremployedexpectation
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We have employed both Z-vector method and the expectation value approach in the relativistic coupled-cluster framework to calculate the scalar-pseudoscalar (S-PS) P, T -odd interaction constant (W_s) and the effective electric field (Eeff) experienced by the unpaired electron in the ground electronic state of RaF. Further, the magnetic hyperfine structure constants of ^{223}Ra in RaF and ^{223}Ra+ are also calculated and compared with the experimental values wherever available to judge the extent of accuracy obtained in the employed methods. The outcome of our study reveals that the Z-vector method is superior than the expectation value approach in terms of accuracy obtained for the calculation of ground state property. The Z-vector calculation shows that RaF has a high E_eff (52.5 GV/cm) and W_s (141.2 kHz) which makes it a potential candidate for the eEDM experiment.

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