Extensive spin–orbit multi-reference study on low-lying electronic states of HgI
Journal of Quantitative Spectroscopy and Radiative Transfer（2022）
Abstract
•The accurate electronic structures of HgI are calculated with MRCI+Q method.•The spin-orbit coupling effect is included in the calculation.•Spectroscopic constants for bound states of HgI are obtained.•Radiative lifetimes of B2Σ+1/2, C2Π1/2 and D2Π3/2 of HgI are determined.•The perturbations on the vibrational levels of the C2Π state are analyzed.
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Key words
HgI,MRCI+Q,Potential energy curves,Spectroscopic constants,Radiative lifetimes
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