Coefficient interrelatedness among polynomial potential functions of diatomic molecules |
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Authors: | Teik-Cheng Lim |
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Institution: | (1) School of Science and Technology, SIM University (UniSIM), 535A Clementi Road, 599490 Singapore, Singapore |
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Abstract: | It is shown that the diatomic potential energy functions of Dunham, SPF and Ogilvie can be easily converted from one another
when their coefficients are related. Through Maclaurin expansion and comparison of terms, the coefficients can be related
by using the Pascal Triangle. In this paper, the coefficients were related up to the tenth order of δr/R for HX (X = H, Ga, Cl, I). Comparison of all three potential energy curves shows very good agreement for r ≤ 1.5R, thereby verifying the formulated relations. Observation of the plotted potential energy curves for r > 1.5R shows that the difference of the three potential function definitions is not reflected as any consistent trend arising from
the related potential functions. |
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Keywords: | Coefficients relationships Diatoms Interatomic energy Potential function |
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