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

Denis, Malika and Haase, Pi A. B. and Timmermans, Rob G. E. and Eliav, Ephraim and Hutzler, Nicholas R. and Borschevsky, Anastasia (2019) Enhancement factor for the electric dipole moment of the electron in the BaOH and YbOH molecules. Physical Review A, 99 (4). Art. No. 042512. ISSN 2469-9926. doi:10.1103/physreva.99.042512.

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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 (E_(eff)) in the triatomic monohydroxide molecules BaOH and YbOH within the high-accuracy relativistic coupled cluster method. The recommended E_(eff) 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 E_(eff) 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.

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Hutzler, Nicholas R.0000-0002-5203-3635
Additional Information:© 2019 American Physical Society. (Received 22 December 2018; published 19 April 2019) The authors would like to thank the Center for Information Technology of the University of Groningen for providing access to the Peregrine high performance computing cluster.
Issue or Number:4
Record Number:CaltechAUTHORS:20190419-100141156
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:94805
Deposited By: George Porter
Deposited On:22 Apr 2019 20:44
Last Modified:16 Nov 2021 17:07

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