Effective electric field associated with the electric dipole moment of the electron for TlF^+

TL;DR

This paper uses relativistic many-body theory to evaluate TlF+ molecular ion's potential for electron electric dipole moment detection, finding it has a very large effective electric field suitable for experiments.

Contribution

It provides the first detailed theoretical assessment of TlF+ for EDM searches, highlighting its large effective electric field compared to known molecules.

Findings

TlF+ has an effective electric field of about 163 GV/cm.

The effective electric field in TlF+ exceeds that in HgF and HgH.

Electron correlation significantly influences the computed properties.

Abstract

In this article, we have employed relativistic many-body theory to theoretically assess the suitability of TlF+ molecular ion in its ground state for electron electric dipole moment searches. To that end, we have computed values of the effective electric field as well as the molecular permanent electric dipole moment using both configuration interaction and coupled cluster methods with high quality basis sets, followed by an analysis on the role of electron correlation in the considered properties. We find that TlF+ has a large value of effective electric field of about 163 GV/cm, which is about one and a half times larger than the HgF and HgH molecules, which are known to have the largest effective electric fields among non-superheavy systems.