Related papers: Relativistic coupled-cluster study of BaF in searc…
A measurement of the magnitude of the electric dipole moment of the electron (eEDM) larger than that predicted by the Standard Model (SM) of particle physics is expected to have a huge impact on the search for physics beyond the SM. Polar…
We investigate the merits of a measurement of the permanent electric dipole moment of the electron ($e$EDM) with barium monofluoride molecules, thereby searching for phenomena of CP violation beyond those incorporated in the Standard Model…
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…
Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (eEDM), in order to explore physics beyond the Standard Model, requires a synergy…
A precise theoretical study of the electronic structure of heavy atom diatomic molecules is of key importance to interpret the experiments in the search for violation of time-reversal (T) and spatial-parity (P) symmetries of fundamental…
The NL-eEDM collaboration is building an experimental setup to search for the permanent electric dipole moment of the electron in a slow beam of cold barium fluoride molecules [Eur. Phys. J. D, 72, 197 (2018)]. Knowledge of molecular…
We employ the $Z$-vector method in the four-component relativistic coupled-cluster framework to calculate the parity (${\mathcal{P}}$) and time-reversal (${\mathcal{T}}$) symmetry violating scalar-pseudoscalar (S-PS) nucleus-electron…
We investigate the parity ($\mathcal{P}$) and time-reversal ($\mathcal{T}$) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters- $E_\text{eff}$, $W_\text{s}$…
The combined all-electron and two-step approach is applied to calculate the molecular parameters which are required to interpret the ongoing experiment to search for the effects of manifestation of the T,P-odd fundamental interactions in…
We report the results of theoretical investigation of electronic structure of ThF$^+$ cation which is one of the most interesting systems to search for the electron electric dipole moment (eEDM) [H. Loh, K.C. Cossel, M.C. Grau, K.-K. Ni,…
We have employed both Z-vector method and the expectation value approach in the relativistic coupled-cluster framework to calculate the scalar-pseudoscalar (S-PS) P, T -odd interaction constant (W_s) and the effective electric field (Eeff)…
We present high accuracy relativistic coupled cluster calculations of the P-odd interaction coefficient $W_A$ describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a…
We develop an analytic-gradient based method for relativistic coupled-cluster calculations of effective electric field, $\mathcal{E}_{\text{eff}}$, with improved efficiency and robustness over the previous state of the art. The enhanced…
HfF$^+$ cation is a very promising system to search for the electron electric dipole moment (EDM), and corresponding experiment is carried out by E. Cornell group. Here we theoretically investigate the cation to search for another T,P-odd…
Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, that are essential ingredients for probing new physics beyond…
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…
Experiments with paramagnetic ground or metastable excited states of molecules (ThO, HfF$^+$, YbF, YbOH, BaF, PbO, etc.) provide strong constraints on electron electric dipole moment (EDM) and coupling constant $C_{SP}$ of contact…
The electric dipole moment of an electron (eEDM) is one of the sensitive probes of physics beyond the standard model. The possible existence of the eEDM gives rise to an experimentally observed energy shift, which is proportional to the…
Calculations of the BaF-Ar triatomic system are performed with a relativistic Hamiltonian and coupled cluster theory at the CCSD(T) level for 1386 positions of the Ar atom relative to the BaF molecule. Calculations are repeated with…
An experiment to search for the electron electric dipole moment (\eEDM) on the metastable $H^3\Delta_1$ state of ThO molecule was proposed and now in the final stage of preparation by the ACME collaboration [http://www.electronedm.org]. To…