相关论文: Relativistic coupled-cluster study of RaF as a can…
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…
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…
The scalar-pseudoscalar interaction constant of PbF in its ground state electronic configuration is calculated using the Z-vector method in the relativistic coupled-cluster framework. The precise calculated value is very important to set…
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…
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…
We report the first results of ab initio relativistic correlation calculation of the effective electric field on the electron, E_eff, in the ground state of the HI$^+$ cation. This value is required for interpretation of the suggested…
The relativistic coupled-clusters method combined with the generalized relativistic effective core potential approach and nonvariational one-center restoration technique is applied to evaluation of parameters of spin-rotational effective…
Heavy polar diatomic molecules are currently one of the leading candidates for probing physics beyond the Standard Model via studies of time-reversal (T) and parity (P) violations. In this work, we analyze the effective electric field…
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…
Parity- and time-reversal-symmetry violating interaction constants required for the interpretation of a recent measurement (arXiv:1704.07928 [physics.atom-ph]) of corresponding symmetry violations in the $\Omega=1$ (${^3\Delta}_1$) science…
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…
The electric dipole moment of the electron (eEDM) and the Scalar-PseudoScalar (S-PS) interaction are probes of new physics beyond the standard model of elementary particles, but experiments to observe them using atoms and molecules are…
Relativistic ab initio calculations have been performed to assess the suitability of RaF for experimental search of P- and T,P-violating interactions. The parameters of P- and T,P-odd terms of the spin-rotational Hamiltonian have been…
Linear response approach to the relativistic coupled-cluster (RCC) theory has been extended to estimate contributions from the parity and time-reversal violating pseudoscalar-scalar (Ps-S) and scalar-pseudoscalar (S-Ps) electron-nucleus…
The parameter $W_\mathrm{a}$, which characterizes nuclear spin-dependent parity violation effects within the effective molecular spin-rotational Hamiltonian, was computed for the electronic ground state of radium fluoride (RaF) and found to…
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 Z-vector method in the relativistic coupled-cluster framework is employed to calculate the parallel and perpendicular components of the magnetic hyperfine structure constant of a few small alkaline earth hydrides (BeH, MgH, and CaH) and…
The Z-vector method in the relativistic coupled-cluster framework is used to calculate magnetic hyperfine structure constant ($A_J$) of alkali metals and singly charged alkaline earth metals in their ground state electronic configuration.…
Hyperfine-structure constants of odd Ra$^{+}$ due to the interactions of nuclear magnetic dipole, electric quadrupole, and magnetic octupole moments with the electrons are investigated in the framework of relativistic coupled-cluster method…
An accurate determination of the effective electric field (Eeff) in YbF is important, as it can be combined with the results of future experiments to give an improved new limit for the electric dipole moment of the electron. We report a…