Dynamical Correlation Effects on the Quasiparticle Bloch States of a Covalent Crystal

Abstract

A local-orbital formulation of the Dyson equation is presented for the one-particle Green's function with the self-energy expressed in terms of a dynamically screened interaction which includes local-field and excitonic effects. Also presented is a quantitative calculation of the quasiparticle states for diamond from first principles, which demonstrates the different roles played by two-particle excitations (electron-hole, plasmon). A discussion of the implications for local-density and empirical one-electron concepts is given.