Enhancement factor for the electric dipole moment of the electron in the BaOH and YbOH molecules

Malika Denis, Pi A. B. Haase, Rob G. E. Timmermans, Ephraim Eliav, Nicholas R. Hutzler, and Anastasia Borschevsky
Phys. Rev. A 99, 042512 – Published 19 April 2019

Abstract

Polyatomic polar molecules are promising systems for future experiments that search for violation of time-reversal and parity symmetries due to their advantageous electronic and vibrational structure, which allows laser cooling, full polarization of the molecule, and reduction of systematic effects [Kozyryev and Hutzler, Phys. Rev. Lett. 119, 133002 (2017)]. In this paper we investigate the enhancement factor of the electric dipole moment of the electron (Eeff) in the triatomic monohydroxide molecules BaOH and YbOH within the high-accuracy relativistic coupled cluster method. The recommended Eeff values of the two systems are 6.42 ± 0.15 and 23.4 ± 1.0 GV/cm, respectively. We compare our results with similar calculations for the isoelectronic diatomic molecules BaF and YbF, which are currently used in the experimental search for P,T-odd effects in molecules. The Eeff values prove to be very close, within about 1.5% difference in magnitude between the diatomic and the triatomic compounds. Thus, BaOH and YbOH have similar enhancements of the electron electric dipole moment, while benefiting from experimental advantages, and can serve as excellent candidates for next-generation experiments.

  • Figure
  • Received 22 December 2018

DOI:https://doi.org/10.1103/PhysRevA.99.042512

©2019 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Malika Denis1,*, Pi A. B. Haase1, Rob G. E. Timmermans1, Ephraim Eliav2, Nicholas R. Hutzler3, and Anastasia Borschevsky1

  • 1Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, 9747 AG, Groningen, The Netherlands
  • 2School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel
  • 3Division of Physics, Mathematics, and Astronomy, California Institute of Technology, Pasadena, California 91125, USA

  • *m.denis@rug.nl

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Issue

Vol. 99, Iss. 4 — April 2019

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