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The Rotation-Vibration Coupling in Diatomic Molecules

C. L. Pekeris

  • Harvard College Observatory and Massachusetts Institute of Technology

Phys. Rev. 45, 98 – Published 15 January, 1934

DOI: https://doi.org/10.1103/PhysRev.45.98

Abstract

A solution of the wave equation for the nuclear motion of a diatomic molecule with a Morse potential function and the rotational term included is given. The wave functions are found to have the same form as the functions obtained when the rotational term is neglected. The constants De and αe in the equations Bv=Beαe(v+12), Dv=De+βe(v+12), are found to be given by the relations De=4Be3ωe2 αe=2xeBe(3[Bexeωe]123Bexeωe), a result which can also be derived from Dunham's formulas. Eq. (2) differs from the corresponding relation in Kratzer's formula by the term in parenthesis. This term is fairly constant for a number of molecules and has an average value of 0.7±0.1 as was found empirically by Birge. The values of αe given by (2) show satisfactory agreement with experimental values for many molecules.

References (8)

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  2. P. M. Morse, Phys. Rev. 34, 57 (1929)
  3. A. Kratzer, Zeits. f. Physik 3, 289 (1920)
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  5. J. L. Dunham, Phys. Rev. 41, 721 (1932) P. M. Davidson, [1]
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  7. Omitted endnote

  8. Hardy, Proc. Camb. Phil. Soc. 21, 492 (1923)

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