Abstract
A new semi-empirical method for constructing the dipole moments of diatomic molecules as functions of the internuclear distance R \(\varepsilon\) [0, ∞) is suggested. The dipole moment is described by a piecewise continuous function specified by a power-law polynomial with the asymptotic μ(R) → R 3 for small R, the dipole moment and its derivatives for equilibrium positions of nuclei in the molecule, and the results of ab initio calculations of the dipole moment for large R. The method is hydrogen halide molecules.
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Cherepanov, V.N. Dipole Moment Function of Hydrogen Halides. Russian Physics Journal 45, 1093–1097 (2002). https://doi.org/10.1023/A:1023399608506
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DOI: https://doi.org/10.1023/A:1023399608506