Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study

Abstract

The high effective electric field ($E_{\mathrm{eff}}$) experienced by the unpaired electron in an atom or a molecule is one of the key ingredients in the success of electron electric dipole moment (eEDM) experiment and its precise calculation require a very accurate theory. We, therefore, employed the Z-vector method in the relativistic coupled-cluster framework and found that HgH has a very large $E_{\mathrm{eff}}$ value (123.2 GV/cm) which makes it a potential candidate for the next generation eEDM experiment. Our study also reveals that it has a large scalar-pseudoscalar $\mathcal{P},\mathcal{T}$-violating interaction constant, $W_{\mathrm{s}}$ = 284.2 kHz. To judge the accuracy of the obtained results we have calculated parallel and perpendicular magnetic HFS constants and compared with the available experimental values. The results of our calculation are found to be in nice agreement with the experimental values. Therefore, by looking at the HFS results we can say that both $E_{\mathrm{eff}}$ and $W_{\mathrm{s}}$ values are also very accurate. Further, We have derived the relationship between these quantities and the ratio which will help to get model independent value of eEDM and S-PS interaction constant.

main text : 5 pages

References in corpus (7)

• Theoretical study of thorium monoxide for the electron electric dipole moment search, II: Electronic properties of $H^3{\Delta }_1$ in ThO
• Mercury Monohalides: Suitability for Electron Electric Dipole Moment Searches
• Zeeman interaction in ThO $H^3{\Delta }_1$ for the electron EDM search
• Proposal for a sensitive search for electric dipole moment of electron with matrix-isolated radicals
• Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework
• Implementation of Z-vector method in the relativistic coupled cluster framework to calculate first order energy derivatives: Application to SrF molecule
• Verification of g-factors for lead monofluoride ground state, PbF

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