Development of a Relativistic Quantum Chemical Method for Detection of Electron's Electric Dipole Moment

Abstract

Observation of the electric dipole moment (EDM) of an elementary particle is attractive as a probe of CP violation, a necessary condition to explain matter-antimatter asymmetry in universe. In particular, the precision of electron EDM (eEDM) measurements in molecules has been drastically improved nowadays. For the eEDM detection, collaborations of particle physic, atomic molecular optics (AMO), and relativistic quantum chemistry is necessary. This article reviews the basic background of EDM in particle physics, experimental strategy, and relativistic theoretical chemistry to calculate effective electric field (E_eff), a requisite to extract the value of eEDM from an experimental observable. We recently developed a program to calculate E_eff accurately and in this article, we discuss our calculated values of E_eff in YbF and HgX (X: halogen) molecules. HgX are found to be promising candidates of new eEDM experiment because of its large E_eff .