Dielectric and optical properties of gas hydrates and ice: <i>ab initio</i> simulation results

Abstract

The dielectric tensors εik(ω), optical absorption spectra R(ω), reflection spectra a(ω) and the density of electronic states N(E) have been calculated for the lattices of gas hydrates with the structure sI and sH, as well as for ice Ih and III. The dependence of the dielectric permittivity on the type of guest molecules in the sI hydrate is considered.