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GeoRef Categories
Era and Period
Epoch and Age
Book Series
Date
Availability
first-order degenerate perturbation theory
Toroidal modes of a simple laterally heterogeneous sphere Available to Purchase
Normal modes of a laterally heterogeneous body: A one-dimensional example Available to Purchase
Weak elastic anisotropy by perturbation theory Available to Purchase
An Approximation to the General Galerkin Method of Computing Coupled‐Mode Synthetic Seismograms Available to Purchase
The isochron ray in seismic modeling and imaging Available to Purchase
Weak-contrast reflection–transmission coefficients in a generally anisotropic background Available to Purchase
Elastic velocity anisotropy in the presence of an anisotropic initial stress Available to Purchase
Velocity, attenuation, and quality factor in anisotropic viscoelastic media: A perturbation approach Available to Purchase
Theoretical modelling of Raman spectra Available to Purchase
Abstract Atomic lattices are not static ensembles of atoms. Rather, the atomic nuclei in solids are continually vibrating. Various factors such as temperature, external electric or magnetic fields, pressure, etc . can affect these vibrations. The pattern of vibrations is structureand compound-dependent. Consequently one of its possible uses is determinative, as recorded in Raman and/or infrared spectra. Here we present briefly the theoretical basis of lattice dynamics in the density-functional perturbation theory formalism. Then we discuss in detail the formalism used to compute the Raman spectra, with both peak position and intensity. We exemplify with the WURM project, a freely available web-based repository of computed physical properties for minerals, focused around Raman spectra.