Properties of diatomic molecules from dynamical models for alkali halide crystals |
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Authors: | M.J.L. Sangster |
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Affiliation: | J.J. Thomson Physical Laboratory, Whiteknights, nReading, U.K. |
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Abstract: | Recently reported central interionic potentials for alkali halide crystals, which have been derived from dynamical models including polarisation and shell deformations, are used in calculations of the internuclear distances, vibrational frequencies and binding energies of the corresponding alkali halide molecules. The results are in good agreement with experimentally determined values. |
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