Journal of Physics C Solid State Physics · 1982 · 47 citations · 23 references
Internal ModesLattice Dynamical CalculationsCrystal StructureMolecular SolidEngineeringPhysicsNatural SciencesApplied PhysicsCondensed Matter PhysicsQuantum MaterialsSpectra-structure CorrelationPhononQuantum ChemistryLowest Dispersion BranchesNeutron ScatteringCrystallographyBiophysics
By inelastic neutron scattering from deuterated anthracene the authors determined the 16 lowest dispersion branches (including 4 internal modes) in the symmetry directions ( xi 00), (0 xi 0) and (00 xi ) and 5 doubly degenerate branches in the (0.5 xi 0) direction. The results agree reasonably well with optical data. Lattice dynamical calculations including the lowest intramolecular modes by first-order perturbation theory agree qualitatively with the experimental results.
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Calculation of crystal vibrations of benzene
G. Taddei, H. Bonadeo, M.P. Marzocchi et al. · The Journal of Chemical Physics · 1973 · 172 citations
Molecular Solid, Transition Dipole-dipole Calculations, Vibrations +13