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- W1990414200 abstract "The problem of the pure rotational transitions vJ ←→ vJ ' for any spectra |J - J '| ≥ 1 for a diatomic molecule is considered. It is proved that, the wave functions ΨvJ and ΨvJ ' are expanded in terms of the running number m = [J '(J ' + 1) - J(J + 1)]/2 as ΨvJ = Σn = 0 πnmn and ΨvJ ' = Σn = 0 πn(-m)n where πn are expressed in terms of the pure vibrational wave function 0 and its rotational corrections n (defined in the conventional perturbation theory). By using this m-representation of the wave functions the pure rotational matrix elements of the considered transitions are given by MvJvJ ' = ΨvJ | γ | ΨvJ ' = Σn = 0 µ2nm2n where µ2n are simple combinations of simple integrals of the form i | γ | n . This formulation is valid for any potential (either numerical or analytical), any vibrational level v and any operator γ. The numerical application to the Dunham potential of the molecule H2 in the Raman transitions and to the Huffaker potential of the molecule CO in the infrared transitions shows the validity and the high accuracy of the present formulation." @default.
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- W1990414200 date "2000-01-01" @default.
- W1990414200 modified "2023-09-23" @default.
- W1990414200 title "General Explicit Pure Rotational Effect for Infrared, Raman and Higher (ΔJ) Spectra for a Diatomic Molecule" @default.
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- W1990414200 doi "https://doi.org/10.1238/physica.regular.061a00066" @default.
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