AI Article Synopsis
- High-level ab initio computations were conducted on the molecule SnH, analyzing its potential energy curves and spectroscopic constants using advanced methods.
- The study calculated various properties, including transition dipole moments and radiative lifetimes, for three specific spin-forbidden transitions.
- Results showed a good match with experimental data, highlighting the significant impact of spin-orbit coupling on the electronic states of SnH.
Article Abstract
High-level ab initio computations have been performed on SnH. The potential energy curves and spectroscopic constants of the low-lying Λ-S electronic states, as well as their associated Ω states, are derived at the icMRCI + Q level employing basis sets of quintuple-ζ quality. The transition dipole moments, Einstein coefficients, radiative lifetimes and Franck-Condon factors of three spin-forbidden transition bands ( [Formula: see text] , [Formula: see text] and [Formula: see text] ) are determined. Comparisons between our predictions and available experimental results indicate reasonable agreement. The spin-orbit coupling effect has been proved to affect these low-lying electronic states significantly.
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| http://dx.doi.org/10.1016/j.saa.2019.117667 | DOI Listing |
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