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- W4224443339 abstract "Following the first principles the analytic Born–Oppenheimer (BO) potential curve for the ground state X1Σ+ of the molecule ClF is proposed for whole range of internuclear distances R∈[0,∞). It is based on matching the perturbation theory at small internuclear distances R and multipole expansion at large distances R, it has the form of two-point Pade approximant and provides 3–4 figures in rovibrational energies. It supports 5719 rovibrational states with maximal vibrational number νmax=47 and maximal angular momentum Lmax=210 including 36 weakly-bound states close to threshold (to dissociation limit) with the energies ≲10-4 hartree. The van der Waals constant C6(ClF)∼29.3 a.u. is predicted." @default.
- W4224443339 created "2022-04-27" @default.
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- W4224443339 date "2022-07-01" @default.
- W4224443339 modified "2023-10-01" @default.
- W4224443339 title "ClF diatomic molecule: Rovibrational spectra" @default.
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- W4224443339 doi "https://doi.org/10.1016/j.cplett.2022.139642" @default.
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