Application of direct potential fitting to line position data for the X1Σg+ and A1Σu+ states of Li2

@article{Coxon2006ApplicationOD,
  title={Application of direct potential fitting to line position data for the X1$\Sigma$g+ and A1$\Sigma$u+ states of Li2},
  author={J. A. Coxon and T. Melville},
  journal={Journal of Molecular Spectroscopy},
  year={2006},
  volume={235},
  pages={235-247}
}
Abstract A collection of 15 222 spectroscopic Li2 line positions, all with measurement precision in the range 0.005–0.02 cm−1, and which sample 99.97 and 99.98% of the A and X state well depths, respectively, have been employed in a direct least squares fit of the effective potential energy and Born–Oppenheimer breakdown functions for the two states. The fully analytical potential function for the A state of 6Li2 is determined out to R ≈ 55 A, well into the long-range region. For the three… Expand
Duo: A general program for calculating spectra of diatomic molecules
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