13. S. Raouafi, Ch Jungen, Excited States of the BaI Molecule

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Volume 13: Pages 272-279, 2000

Excited States of the BaI Molecule

S. Raouafi, Ch Jungen

Laboratoire Aimé Cotton, Băt. 505, Université de Paris Sud, 91405 Orsay, France

Variational Rmatrix theory and generalized quantum defect theory are used to calculate the known first excited states of BaI and to predict the as yet unknown higher members of the Rydberg series of this molecule up to principal quantum numbers ν ≈ 9. The quantum defects of the Rydberg series of BaI, CaCl, BaF, and CaF are compared.

Keywords: excited molecular states, scattering theory, quantum defect theory, quantum chemistry, Rydberg states, dipolar molecules

Received: September 20, 2000; Published online: December 15, 2008