相关论文: ${\cal{P,T}}$-Odd and Magnetic Hyperfine Interacti…
A recently implemented relativistic four-component configuration interaction approach to study ${\cal{P}}$- and ${\cal{T}}$-odd interaction constants in atoms and molecules is employed to determine the electron electric dipole moment…
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…
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…
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 present state-of-the-art configuration interaction and coupled cluster calculations of the electron electric dipole moment, the nucleon-electron scalar-pseudoscalar, and the magnetic hyperfine interaction constants ($\alpha_{d_e},…
We report the results of theoretical investigation of electronic structure of ThF$^+$ 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 report ab initio relativistic correlation calculations of potential curves and electric dipole transition moments for ten low-lying electronic states, effective electric field on the electron, hyperfine constants and radiative lifetimes…
The energy splitings for $J = 1$, $F=3/2$, $|M_F|=3/2$ hyperfine levels of the $^3\Delta_1$ electronic state of $^{180}$Hf$^{19}$F$^+$ ion are calculated as functions of the external variable electric and magnetic fields within two…
CP violation effects produced by the nuclear magnetic quadrupole moment (MQM), electron electric dipole moment (EDM) and scalar$-$pseudoscalar nucleus$-$electron neutral current (SP) interaction in $^{177}$Hf$^{19}$F$^+$ and…
We report first configuration interaction calculations of hyperfine constants A_\parallel and the effective electric field W_d acting on the electric dipole moment of the electron, in two excited electronic states of ^{207}PbO. The obtained…
The TaO$^+$ molecular ion is proposed as a candidate system for detecting signatures of charge parity (${\cal{CP}}$) violating physics beyond the standard model of elementary particles. The electron electric dipole moment (EDM) effective…
We report the theoretical investigation of the suppression of magnetic systematic effects in HfF$^+$ cation for the experiment to search for the electron electric dipole moment. The g-factors for $J = 1$, $F=3/2$, $|M_F|=3/2$ hyperfine…
Hyperfine structure of the ground rotational level of the metastable $^3\Delta_1$ electronic state of $^{180}$HfF$^+$ ion is calculated at presence of variable external electric and magnetic fields. Calculations are required for analysis of…
All-electron configuration interaction theory in the framework of the Dirac-Coulomb Hamiltonian has been applied to the TaN molecule, a promising candidate in the search for Beyond-Standard-Model physics in both the hadron and the lepton…
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…
Large scale ab initio calculations of the electric contribution (i.e. the electric field gradient) to the electric quadrupole hyperfine interaction constants $B$ for the $5p~^2P_{3/2}$ state in $^{109}$Cd$^+$ ion and the $5s5p~^3P_{1,2}$…
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…
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)…
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…
Highly correlated pure {\it{ab initio}} relativistic configuration interaction theory is in the present paper applied to the calculation of the tensor-pseudotensor ${\cal{(P,T)}}$-violating nucleon-electron interaction constant in the…