Abstract
The rigid body model for molecular motion in crystals assumes a negligible amplitude for internal vibrational modes. This results in too small a value for the displacements of the hydrogen atoms as these are the lightest and are generally peripheral. This is shown to be important for neutron scattering by extending the rigid-body model. Each hydrogen atom is given an extra anisotropic displacement, all determined by three parameters. The values of these parameters for three examples, naphthalene, anthracene and pyrene, agree very well with that expected. Comparison is made with a calculation on benzene.
Published Version
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