Application of a Relativistic Coupled-Cluster Theory to the Effective Electric Field in YbF

TL;DR

This paper presents a highly accurate relativistic coupled-cluster calculation of the effective electric field in YbF, crucial for electron electric dipole moment experiments, surpassing previous approximations.

Contribution

It introduces a comprehensive relativistic coupled-cluster method including all core excitations for calculating Eeff in YbF, improving accuracy over prior models.

Findings

Eeff in YbF is 23.1 GV/cm

Estimated error less than 10%

Highlights importance of basis sets and core excitations

Abstract

An accurate determination of the effective electric field (Eeff) in YbF is important, as it can be combined with the results of future experiments to give an improved new limit for the electric dipole moment of the electron. We report a relativistic coupled-cluster calculation of this quantity in which all the core electrons were excited. It surpasses the approximations made in the previous reported calculations. We obtain a value of 23.1 GV/cm for Eeff in YbF with an estimated error of less than 10%. The crucial roles of the basis sets and the core excitations in our work are discussed.