In search of the electron electric dipole moment: relativistic correlation calculations of the P,T-violating effect in the ground state of HI+ |
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Authors: | Isaev T A Petrov A N Mosyagin N S Titov A V |
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Institution: | Petersburg Nuclear Physics Institute, Gatchina, Russia. timisaev@pnpi.spb.ru |
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Abstract: | We report the first results of ab initio relativistic correlation calculation of the effective electric field on the electron, E(eff), in the ground state of the HI+ cation. This value is required for interpretation of the suggested experiment on the search for the electron electric dipole moment. The generalized relativistic effective core potential, Fock-space relativistic coupled cluster with single and double cluster amplitudes (RCC-SD), and spin-orbit direct configuration interaction (SODCI) methods are used, followed by nonvariational one-center restoration of the four-component wave function in the iodine core. The RCC-SD value is E(eff) = 0.345 x 10(24) Hz/e cm and SODCI study gives E(eff) = 0.336 x 10(24) Hz/e cm (our final value). The structure of chemical bonding in HI+ is clarified, and a significant deviation of our value from that of Ravaine et al. Phys. Rev. Lett. 94, 013001 (2005)] is explained. |
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