2019
DOI: 10.1016/j.molstruc.2018.10.017
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Ab-initio study of spin-orbit effect on 175Lu19F spectroscopy

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Cited by 5 publications
(4 citation statements)
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“…Furthermore, the electronic spectrum of the LuF molecule has been recorded experimentally using a hollow cathode lamp by D’Incan et al 18 and Effantin et al 19 ; they assigned the following notation for the excited states : A 1 Σ + , B 1 Π, D 1 Π, E 1 Π, and F 1 Σ + . However, similarly to Assaf et al 29 and Hamadeh et al 27 , in our work, the first excited state was found to be a 1 Π state, with a transition energy T e = 24 973 cm −1 . This state doesn’t correspond to the observed A, B, or D systems, but to the reported E 1 Π state, where the spectroscopic constants average relative differences with our calculations are 2.0% for Te, 1.5% for Re, 0.3% for ω e and 2.7% for Be.…”
Section: Computation and Resultssupporting
confidence: 88%
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“…Furthermore, the electronic spectrum of the LuF molecule has been recorded experimentally using a hollow cathode lamp by D’Incan et al 18 and Effantin et al 19 ; they assigned the following notation for the excited states : A 1 Σ + , B 1 Π, D 1 Π, E 1 Π, and F 1 Σ + . However, similarly to Assaf et al 29 and Hamadeh et al 27 , in our work, the first excited state was found to be a 1 Π state, with a transition energy T e = 24 973 cm −1 . This state doesn’t correspond to the observed A, B, or D systems, but to the reported E 1 Π state, where the spectroscopic constants average relative differences with our calculations are 2.0% for Te, 1.5% for Re, 0.3% for ω e and 2.7% for Be.…”
Section: Computation and Resultssupporting
confidence: 88%
“…1 . We can note that the first low-lying states of the LuF molecule are of triplet multiplicity as in all electronic structures reported previously 27 29 . The spectroscopic constants T e , R e , ω e , B e , α e , and D e have been calculated by fitting the potential energy curve values around the minimum of the internuclear distance R e to a polynomial in terms of R, the significant degree of which is determined from the evaluation of the statistical error for the coefficients, for the ground and the low-lying states of the LuF molecule, as presented in Table 1 .…”
Section: Computation and Resultssupporting
confidence: 83%
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