The rigid molecule approximation in lattice dynamics |
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| Authors: | V. Chandrasekharan S.H. Walmsley |
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| Affiliation: | 1. Laboratoire des Interactions Moleculaires et des Hautes Pressions , CNRS, Bellevue , 92190, Meudon, France;2. Department of Chemistry , University College London , 20 Gordon Street, London, WC1H 0AJ, U.K. |
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| Abstract: | The theory of the lattice dynamics of molecular crystals with and without the rigid molecule approximation is developed and the two compared. To make the two compatible, the equilibrium conditions for the internal molecular dimensions are replaced in the rigid molecule approximation by equations representing the constrained constant values of the molecular dimensions expanded in vibrational coordinates. |
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