Lattice Vibrations in Crystals with Deformable Molecules; a Calculation for Naphthalene
作者： G. S. Pawley , S. J. Cyvin
DOI: 10.1063/1.1673612
关键词: Dispersion relation 、 Neutron 、 Crystal 、 Rigidity (electromagnetism) 、 Wave vector 、 Inelastic scattering 、 Molecular physics 、 Molecule 、 Optics 、 Force field (chemistry) 、 Chemistry 、 Physical and Theoretical Chemistry 、 General Physics and Astronomy
摘要: A calculation has been done to show the effect of molecular distortion on external modes crystal naphthalene. This also yields dispersion relation for internal caused by crystalline forces. The method used is quite general. force field isolated molecule comes from spectroscopic frequency fitting, and this added forces using a Buckingham atom–atom potential. shift splitting all calculated at zero wave vector are given, lower vectors parallel screw‐diad axis. suggestion made concerning analysis results neutron coherent inelastic scattering, which until now assumed rigidity.
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