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Pinning down electron correlations in RaF via spectroscopy of excited states and high-accuracy relativistic quantum chemistry
M. Athanasakis-Kaklamanakis, S. G. Wilkins, L. V. Skripnikov +53
We report the spectroscopy of the 14 lowest excited electronic states in the radioactive molecule radium monofluoride (RaF). The observed excitation energies are compared with full…
Accurate \textit{ab initio} calculations of RaF electronic structure indicate the need for more laser-spectroscopical measurements
Andrei Zaitsevskii, Leonid V. Skripnikov, Nikolai S. Mosyagin +4
Recently a breakthrough has been achieved in laser-spectroscopic studies of short-lived radioactive compounds with the first measurements of the radium monofluoride molecule (RaF)…
Ab initio study of radium monofluoride, RaF, as a candidate to search for P- and T,P- violation effects
A. D. Kudashov, A. N. Petrov, L. V. Skripnikov +4
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-…
In search of the electron electric dipole moment: relativistic correlation calculations of the P,T-violation effect in the ground state of HI
T. A. Isaev, N. S. Mosyagin, A. N. Petrov +1
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…
Two-step method for precise calculation of core properties in molecules
A. V. Titov, N. S. Mosyagin, A. N. Petrov +1
Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity…
Configuration interaction calculation of hyperfine and P,T-odd constants on ^{207}PbO excited states for the electron EDM experiments
A. N. Petrov, A. V. Titov, T. A. Isaev +2
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 search of the electron dipole moment: Ab initio calculations on ^207PbO excited states
T. A. Isaev, A. N. Petrov, N. S. Mosyagin +3
We report ab initio correlated relativistic calculations of the effective electric field W_d acting on the electron in two excited electronic states of PbO, required for extracting…