Details

Autor(en) / Beteiligte

• ISAEV, T. A
• PETROV, A. N
• MOSYAGIN, N. S
• TITOV, A. V

Titel

In search of the electron electric dipole moment : Relativistic correlation calculations of the P, T-violating effect in the ground state of HI

Ist Teil von

• Physical review letters, 2005-10, Vol.95 (16), p.163004.1-163004.4, Article 163004

Ort / Verlag

Ridge, NY: American Physical Society

Erscheinungsjahr

2005

Link zum Volltext

Quelle

American Physical Society Journals

Beschreibungen/Notizen

• 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.