Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework

Abstract

The effective electric field experienced by the unpaired electron in the ground state of PbF, which is a potential candidate in the search of electron electric dipole moment due to some special characteristics, is calculated using Z-vector method in the coupled cluster single- and double- excitation approximation with four component Dirac spinor. This is an important quantity to set the upper bound limit of the electron electric dipole moment. Further, we have calculated molecular dipole moment and parallel magnetic hyperfine structure constant (A${}_{\Vert }$) of ${}^{207}$Pb in PbF to test the accuracy of the wave function obtained in the Z-vector method. The outcome of our calculations clearly suggests that the core electrons have significant contribution to the "atom in compound (AIC)" properties.

6 pages, 1 figure

References in corpus (6)

• Candidate molecular ions for an electron electric dipole moment experiment
• Prospects for an electron electric dipole moment search in metastable ThO and ThF${}^{+}$
• Theoretical study of ThF${}^{+}$ in the search for T,P-violation effects: Effective state of a Th atom in ThF${}^{+}$ and ThO compounds
• Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores
• Towards the search of T,P-odd interactions in lead monofluoride, PbF
• Implementation of Z-vector method in the relativistic coupled cluster framework to calculate first order energy derivatives: Application to SrF molecule

Cited by in corpus (9)

• Application of the Finite Field Coupled Cluster Method to Calculate Molecular Properties Relevant to Electron Electric Dipole Moment Searches
• Systematic study and uncertainty evaluation of $P,T$-odd molecular enhancement factors in BaF
• Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study
• Merits of Heavy-Heavy Molecules for Electron Electric Dipole Moment Searches
• Calculations of Time-Reversal Symmetry Violation Sensitivity Parameters Based on Analytic Relativistic Coupled-Cluster Gradient Theory
• Relativistic coupled-cluster study of BaF in search of $\mathcal{C}\mathcal{P}$ violation
• Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
• Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework
• $\mathcal{P}$, $\mathcal{T}$-odd Faraday rotation in intracavity absorption spectroscopy with molecular beam as a possible way to improve the sensitivity of the search for the time reflection noninvariant effects in nature