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Molecular enhancement factors for the P, T-violating electric dipole moment of the electron in BaCH₃ and YbCH₃ symmetric top molecules

Chamorro, Yuly and Borschevsky, Anastasia and Eliav, Ephraim and Hutzler, Nicholas R. and Hoekstra, Steven and Pašteka, Lukáš F. (2022) Molecular enhancement factors for the P, T-violating electric dipole moment of the electron in BaCH₃ and YbCH₃ symmetric top molecules. Physical Review A, 106 (5). Art. No. 052811. ISSN 2469-9926. doi:10.1103/physreva.106.052811.

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High-precision tests of fundamental symmetries are looking for the parity-(P), time-reversal-(T) violating electric dipole moment of the electron (eEDM) as proof of physics beyond the Standard Model. Particularly, in polyatomic molecules, the complex vibrational and rotational structure gives the possibility to reach high enhancement of the P,T-odd effects in moderate electric fields, and with the possibility of increasing the statistical sensitivity by using laser cooling. In this work, we calculate the P,T-odd molecular enhancement factor of the eEDM (W_d) and of the scalar-pseudoscalar interaction (Wₛ) necessary for the interpretation of future experiments on the promising candidates BaCH₃ and YbCH₃. We employ high-accuracy relativistic coupled cluster methods and systematically evaluate the uncertainties of our computational approach. Compared to other Ba- and Yb-containing molecules, BaCH₃ and YbCH₃ exhibit larger W_d and Wₛ associated to the increased covalent character of the M–C bond. The calculated values are 3.22 ± 0.12 × 10²⁴(hHz/ecm) and 13.80 ± 0.35 × 10²⁴(hHz/ecm) for W_d, and 8.42 ± 0.29 hkHz and 50.16 ± 1.27 hkHz for Wₛ, in BaCH₃ and YbCH₃, respectively. The robust, accurate, and cost-effective computational scheme reported in this work makes our results suitable for extracting the relevant fundamental properties from future measurements and also can be used to explore other polyatomic molecules sensitive to various violations of fundamental symmetries.

Item Type:Article
Related URLs:
URLURL TypeDescription
Chamorro, Yuly0000-0002-4664-2434
Borschevsky, Anastasia0000-0002-6558-1921
Eliav, Ephraim0000-0002-2656-4934
Hutzler, Nicholas R.0000-0002-5203-3635
Hoekstra, Steven0000-0002-9571-4510
Pašteka, Lukáš F.0000-0002-0617-0524
Alternate Title:Molecular enhancement factors for the P, T-violating electric dipole moment of the electron in BaCH3 and YbCH3 symmetric top molecules
Additional Information:This publication is part of the project High Sector Fock Space Coupled Cluster Method: Benchmark Accuracy Across the Periodic Table [with Project No. VI.Vidi.192.088 of the research programme Vidi which is financed by the Dutch Research Council (NWO)]. We thank the Center for Information Technology of the University of Groningen for support and for providing access to the Peregrine high performance computing cluster. L.F.P. acknowledges the support from the Slovak Research and Development Agency (Grants No. APVV-20-0098 and No. APVV-20-0127).
Funding AgencyGrant Number
Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)Vidi.192.088
Slovak Research and Development AgencyAPVV-20-0098
Slovak Research and Development AgencyAPVV-20-0127
Issue or Number:5
Record Number:CaltechAUTHORS:20221219-417430800.26
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:118499
Deposited By: Research Services Depository
Deposited On:20 Jan 2023 20:50
Last Modified:22 Jan 2023 20:55

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