https://doi.org/10.1140/epjp/s13360-023-04115-w
Regular Article
Effective electric field associated with the electric dipole moment of the electron for TlF
1
Centre for Quantum Engineering, Research and Education, TCG CREST, 700091, Salt Lake, Kolkata, India
2
Quantum Chemistry Research Laboratory, Department of Chemistry, School of Science, Hiroshima University, 739-8511, Higashi-hiroshima, Hiroshima, Japan
Received:
2
February
2023
Accepted:
16
May
2023
Published online:
30
May
2023
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.
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© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.