Dielectric and Optical Properties of Gas Hydrates and Ices: Ab Initio Simulation Results

摘要

Abstract Dielectric tensors εik(ω), optical absorption spectra R(ω), reflection spectra a(ω), and the density of electronic states N(E) are calculated for the lattices of gas hydrates with sI and sH structures, and for ices Ih and III. The dependence of the dielectric permittivity on the type of guest molecules in the sI hydrate is discussed.