Ab initio study and assignment of electronic states in molecular RaCl
Journal of Quantitative Spectroscopy and Radiative Transfer(2021)
摘要
•Electronic structure of RaCl is studied with relativistic Fock-space coupled cluster method.•Based on the computed level energies, a reassignment of previously reported levels is proposed.•We found a favourable situation for laser cooling of RaCl, according to computed potential energy surfaces for the energetically lowest electronic states.•A number of molecular P-odd and P, T-odd properties in the framework of a quasirelativistic zeroth-order regular approach is calculated.
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关键词
Radium compounds,Coupled cluster method,Electronic correlations,Molecular laser cooling
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