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Crystal‐field model study of the xenon hexafluoride molecule. III. Electronic transitions and band shapes
1974
Journal of Chemical Physics
The application of a two-electron crystal-field model to the electronic structure of xenon hexafluoride is extended to include the calculation of oscillator strengths for absorption transitions to the largely spin singlet and the largely spin triplet excited states. Band shapes are calculated in terms of their spectral moments by obtaining vibrational energies and wavefunctions for the mixed quadratic-quartic potential energy functions calculated from the crystal-field model. The key
doi:10.1063/1.1681707
fatcat:izzyswac3nfe5ndvdpzyevcsx4