Plasmon dispersion and quasiparticle band structures for noble metals

Full text: In density-functional theory the Kohn-Sham eigenvalues cannot be interpreted as excitation energies, but band structures are often qualitatively correct and can be used as a starting point for perturbation-theoretical treatments. The GW approximation for the electronic self-energy is a particularly successful method for accurate quantitative band-structure calculations. The screened interaction W incorporates local field effects from the inversion of the dielectric matrix determined in the Random Phase Approximation. The inverted dielectric matrix combined with non-local empirical pseudopotentials also yields adequately calculated low energy excited state properties of materials. Dielectric calculations based on the pseudo-wavefunctions and energy band structure within a plasmon picture determine mean free path lengths and Fourier components of the inelastic scattering potential. Efficient band structures simulate ballistic transport effects in copper and surface state changes with strain during silver epitaxial film growth on silicon, but care must be taken with convergence, in order to obtain good agreement with first principle calculations and experimental values. Comparisons are made with recent LDA and GW calculations for silver