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PreprintCC BYChemRxiv

P,T-odd sensitivity parameters of laser-coolable SrOH from relativisticcoupled-cluster theory

5 affiliations
  1. 1Department of Chemical and Biological Sciences
  2. 2National Institute of Technology Meghalaya
  3. 3Theoretical Chemistry Section
  4. 4Bhabha Atomic Research Centre
  5. 5BARC Training School Complex

Abstract

Ultracold molecules have attracted significant interest as promising platforms for exploring fundamental physics and quantum information science. As progress toward precision measurements with the ultracold SrOH molecule is currently underway [{\it Phys. Rev. Lett. 134, 083401 (2025)}], we present a four-component relativistic coupled-cluster (RCC) study of various parity- and time-reversal-violating (P,T-odd) interactions in the ground electronic state of SrOH. In particular, we extend the application of the Z-vector (energy-derivative) approach within the RCC framework to a polyatomic molecule for the calculation of P,T-odd molecular sensitivity parameters. We obtain the following molecular parameters for SrOH: Eeff = 2.12 ± 0.27~GV/cm, WS = 1.89 ± 0.21~kHz, and WM = (2.04 ± 0.12) × 1032~Hz/e·cm2. These parameters provide essential molecular inputs for the design and interpretation of precision experiments with SrOH. We find that the P,T-odd sensitivity parameters of SrOH are comparable to those of the isoelectronic diatomic molecule SrF. However, the polyatomic structure of SrOH offers enhanced capabilities for suppressing systematic errors, making it a particularly promising candidate for high-precision searches for P,T violation.

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BibTeX
@misc{talukdar2026ptodd,
  title = {{P,T-odd sensitivity parameters of laser-coolable SrOH from relativisticcoupled-cluster theory}},
  author = {Kaushik Talukdar and Himangshu Das and Sishmita Tamang and Malaya K Nayak},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.10001729/v2},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.10001729/v2},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - P,T-odd sensitivity parameters of laser-coolable SrOH from relativisticcoupled-cluster theory
AU  - Kaushik Talukdar
AU  - Himangshu Das
AU  - Sishmita Tamang
AU  - Malaya K Nayak
PY  - 2026
DA  - 2026/09/14
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.10001729/v2
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.10001729/v2
AB  - Ultracold molecules have attracted significant interest as promising platforms for exploring fundamental physics and quantum information science. As progress toward precision measurements with the ultracold SrOH molecule is currently underway [{\it Phys. Rev. Lett. 134, 083401 (2025)}], we present a four-component relativistic coupled-cluster (RCC) study of various parity- and time-reversal-violating (P,T-odd) interactions in the ground electronic state of SrOH. In particular, we extend the application of the Z-vector (energy-derivative) approach within the RCC framework to a polyatomic molecule for the calculation of P,T-odd molecular sensitivity parameters. We obtain the following molecular parameters for SrOH: E_eff = 2.12 ± 0.27~GV/cm, W_S = 1.89 ± 0.21~kHz, and W_M = (2.04 ± 0.12) × 10^32~Hz/e·cm^2. These parameters provide essential molecular inputs for the design and interpretation of precision experiments with SrOH. We find that the P,T-odd sensitivity parameters of SrOH are comparable to those of the isoelectronic diatomic molecule SrF. However, the polyatomic structure of SrOH offers enhanced capabilities for suppressing systematic errors, making it a particularly promising candidate for high-precision searches for P,T violation.
ER  -