Accurate \textit{ab initio} calculations of RaF electronic structure indicate the need for more laser-spectroscopical measurements

Abstract

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) UV/vis spectra. We report results from high accuracy \emph{ab initio} calculations of the RaF electronic structure for ground and low-lying excited electronic states. Two different methods agree excellently with experimental excitation energies from the electronic ground state to the ${}^2{\Pi }_{1/2}$ and ${}^2{\Pi }_{3/2}$ states, but lead consistently and unambiguously to deviations from experimental-based adiabatic transition energy estimates for the ${}^2{\Sigma }_{1/2}$ excited electronic state and show that more measurements are needed to clarify spectroscopic assignment of the ${}^2\Delta$ states.

arXiv comment7 pages, 1 figure, 1 table

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