title: In search of the electron electric dipole moment: relativistic correlation calculations of the P,T-violating effect in the ground state of HI+.
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.
authors.affiliation: Petersburg Nuclear Physics Institute, Gatchina, Russia. timisaev@pnpi.spb.ru
authors.forename: T A
authors.initials: TA
authors.lastname: Isaev
authors.forename: A N
authors.initials: AN
authors.lastname: Petrov
authors.forename: N S
authors.initials: NS
authors.lastname: Mosyagin
authors.forename: A V
authors.initials: AV
authors.lastname: Titov