State of the art for ab initio vs empirical potentials for predicting 6e$^{-}$ excited state molecular energies: Application to Li$_{2}\left(b,1^{3}\Pi_{u}\right)$

We build the first analytic empirical potential for the most deeply bound $L i_{2}$ state: $b (1^{3} Π_{u})$ . Our potential is based on experimental energy transitions covering $v = 0 - 34$ , and very high precision theoretical long-range constants. It provides high accuracy predictions up to $v = 100$ which pave the way for high-precision long-range measurements, and hopefully an eventual resolution of the age old discrepancy between experiment and theory for the $L i (2^{2} S) + L i (2^{2} P)$ $C_{3}$ value. State of the art ab initio calculations predict vibrational energy spacings that are all in at most 0.8 cm $^{- 1}$ disagreement with the empirical potential.

State of the art for ab initio vs empirical potentials for predicting 6e $^{-}$ excited state molecular energies: Application to Li $_{2} (b, 1^{3} Π_{u})$

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State of the art for ab initio vs empirical potentials for predicting 6e $^{-}$ excited state molecular energies: Application to Li $_{2} (b, 1^{3} Π_{u})$

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State of the art for ab initio vs empirical potentials for predicting 6e−− excited state molecular energies: Application to Li2(b,13Πu)2​(b,13Πu​)

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State of the art for ab initio vs empirical potentials for predicting 6e−− excited state molecular energies: Application to Li2(b,13Πu)2​(b,13Πu​)

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State of the art for ab initio vs empirical potentials for predicting 6e $^{-}$ excited state molecular energies: Application to Li $_{2} (b, 1^{3} Π_{u})$

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State of the art for ab initio vs empirical potentials for predicting 6e $^{-}$ excited state molecular energies: Application to Li $_{2} (b, 1^{3} Π_{u})$

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AI智能校验