Theoretical analysis of effective electric fields in mercury monohalides

Abstract

Mercury monohalides are promising candidates for electron electric dipole moment searches. This is due to their extremely large values of effective electric fields, besides other attractive experimental features. We have elucidated the theoretical reasons of our previous work. We have also presented a detailed analysis of our calculations, by including the most important of the correlation effects’ contributions. We have also analyzed the major contributions to the effective electric field, at the Dirac-Fock level, and identified those atomic orbitals’ mixings that contribute significantly to it.