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Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics

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Abstract

SrF, being a laser-coolable molecule, can be an interesting system for spectroscopic tests of fundamental physics. We present an electronic structure study of this molecule within the four-component relativistic coupled-cluster singles and doubles (RCCSD) framework and employ the RCCSD-based methods to compute its molecular-frame dipole moment and core properties such as hyperfine structure coupling constant and molecular P, T-odd electronic structure parameters that are of great importance for the high-precision tests of fundamental physics. The impact of basis set size, Hamiltonian and nuclear model on the property calculation of SrF is also investigated. The computed results are in good agreement with the available experimental values. The present study shows that the SrF molecule could be useful for high-precision molecular experiments to explore physics beyond the Standard Model of elementary particles.

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Acknowledgments

K.T. acknowledges the Department of Science and Technology (DST), India for the INSPIRE Faculty Fellowship.

Author information

Authors and Affiliations

  1. Department of Chemical Sciences, Tezpur University, Napaam, Sonitpur, Assam, 784028, India

    Kaushik Talukdar & Haimyapriya Buragohain

  2. Theoretical Chemistry Section, Bhabha Atomic Research Centre, Trombay, Mumbai, Maharashtra, 400085, India

    Malaya K. Nayak

  3. Homi Bhabha National Institute, BARC Training School Complex, Mumbai, Maharashtra, 400085, India

    Malaya K. Nayak

  4. Physical Chemistry Division, CSIR-National Chemical Laboratory, Pune, Maharashtra, 411008, India

    Nayana Vaval

  5. Department of Chemistry, Ashoka University, Sonipat, Haryana, 131029, India

    Sourav Pal

Authors
  1. Kaushik Talukdar
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  2. Haimyapriya Buragohain
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  3. Malaya K. Nayak
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  4. Nayana Vaval
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  5. Sourav Pal
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Correspondence to Kaushik Talukdar or Sourav Pal.

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Talukdar, K., Buragohain, H., Nayak, M.K. et al. Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics. Theor Chem Acc 142, 15 (2023). https://doi.org/10.1007/s00214-023-02953-6

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