학술논문
Accurate ab initio calculations of RaF electronic structure appeal to more laser-spectroscopical measurements.
Document Type
Article
Author
Source
Subject
*AB-initio calculations
*ELECTRONIC structure
*EXCITED states
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Language
ISSN
0021-9606
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 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 2Π1/2 and 2Π3/2 states, but lead consistently and unambiguously to deviations from experimental-based adiabatic transition energy estimates for the 2Σ1/2 excited electronic state, and show that more measurements are needed to clarify spectroscopic assignment of the 2Δ state. [ABSTRACT FROM AUTHOR]