期刊
MOLECULAR PHYSICS
卷 101, 期 14, 页码 2285-2294出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/0026897031000137706
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We use the Morse and the Deng-Fan potentials to treat the X-H stretching motion in small molecules. The Deng-Fan potential is qualitatively similar to the Morse potential but has the correct asymptotic behaviour as the internuclear distance approaches 0. We use the Deng-Fan potential to calculate transition frequencies and intensities of overtones of X-H stretching vibrations. Parameters for the Morse oscillator can readily be found from a Birge-Sponer fit of experimental transition frequencies. We describe a procedure to find the parameters for the Deng-Fan oscillator. We compare the potentials, wavefunctions, and matrix elements of the Morse and the Deng-Fan oscillator models. In the examples considered the Deng-Fan potential does not predict observed energy levels and intensities significantly better than the Morse potential despite its correct asymptotic behaviour.
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