Electron–nucleus scalar–pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework

Sasmal, Sudip; Talukdar, Kaushik; Nayak, Malaya K.; Vaval, Nayana; Pal, Sourav

doi:10.1080/00268976.2017.1332396

Cited by 9 publications

(6 citation statements)

References 45 publications

(55 reference statements)

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“…It is worth mentioning that although we correlate all the electrons to compute our most reliable results, they are not completely free from the error associated with core correlation effects since we use dyall.cv4z basis sets, which are designed only to treat core-valence correlation. However, relying on our previous studies [35,51,53] we expect this error to be negligible for BaF as well. Nevertheless, ignoring the mutual cancellations of different possible sources of error and assuming the errors to be independent, we can argue that the uncertainty in our most reliable results for the P, T -odd molecular parameters of BaF is within 8%.…”

Section: Resultsmentioning

confidence: 88%

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Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

Talukdar

Nayak

Vaval

et al. 2020

J. Phys. B: At. Mol. Opt. Phys.

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BaF is one of the potential candidates for the experimental search of the electric dipole moment of the electron (eEDM). The NL-eEDM collaboration is building a new experimental set up to measure the eEDM using the BaF molecule [The NL-eEDM collaboration, Eur. Phys. J. D (2018) 72: 197]. To analyze the results of such an experiment, one would require the accurate value of the molecular P, T -odd interaction parameters that cannot be measured from any experiment. In this work, we report the precise value of the P, T -odd interaction parameters of the BaF molecule obtained from the four-component relativistic coupled-cluster calculations. We also calculate the hyperfine structure (HFS) constants of the same molecule to assess the reliability of the reported molecular parameters. The calculated HFS constants show good agreement with the available experimental values. Further, the systematic effects of electron-correlation along with the roles of inner-core electrons and the virtual energy functions in the calculation of the studied properties of BaF are investigated.

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Section: Resultsmentioning

confidence: 88%

“…Recently, Sasmal et al [21] extended the Z-vector technique into the four-component relativistic CCSD framework and successfully implemented the method to precisely calculate various AIC properties of molecules [12,14,34,35]. For more detailed knowledge of the Z-vector method, one can see references [36][37][38].…”

Section: Theorymentioning

confidence: 99%

Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

Talukdar

Nayak

Vaval

et al. 2020

J. Phys. B: At. Mol. Opt. Phys.

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“…The validity of this analytical relationship has been confirmed numerically in numerous electronic-structure studies of EDM enhancements and Ne-SPS interactions on other systems, for instance in Refs. [17,18,[60][61][62][63][64][65].…”

Section: Use Ofmentioning

confidence: 99%

P , T -Violating and Magnetic Hyperfine Interactions in Atomic Thallium

Fleig

Skripnikov

2020

Symmetry

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We present state-of-the-art string-based relativistic general-excitation-rank configuration interaction and coupled cluster calculations of the electron electric dipole moment, the nucleon–electron scalar-pseudoscalar, and the magnetic hyperfine interaction constants ( α d e , α C S , A | | , respectively) for the thallium atomic ground state 2 P 1 / 2 . Our present best values are α d e = − 558 ± 28 , α C S = 6.77 ± 0.34 [ 10 − 18 e cm], and A | | = 21172 ± 1059 [MHz]. The central value of the latter constant agrees with the experimental result to within 0.7% and serves as a measurable probe of the P , T -violating interaction constants. Our findings lead to a significant reduction of the theoretical uncertainties for P , T -odd interaction constants for atomic thallium but not to stronger constraints on the electron electric dipole moment, d e , or the nucleon–electron scalar-pseudoscalar coupling constant, C S .

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“…In recent times, a number of notable attempts have been made to measure the electron's EDM (eEDM) using ultracold heavy polar diatomic molecules such as YbF [11], ThO [7], BaF [14], and HfF + [12]. In addition to the eEDM, there are a few significant sources of CP violation, viz., (i) intrinsic EDM of nucleons, (ii) P, T -odd electron-nucleon interaction, (iii) P, T -odd nucleon-nucleon interactions, etc., which results in the permanent EDM of a molecule [4][5][6][7][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35]. That is why, providing robust limits on the fundamental constants corresponding to these P, T -odd sources from molecular EDM experiments is not an easy task.…”

Section: Introductionmentioning

confidence: 99%

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

Talukdar

Buragohain

Nayak

et al. 2022

Preprint

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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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Electron–nucleus scalar–pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework

Cited by 9 publications

References 45 publications

Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

P , T -Violating and Magnetic Hyperfine Interactions in Atomic Thallium

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

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