Abstract
A quasiparticle theory for the band gaps and excitation spectra of semiconductors and insulators is reviewed. In this approach, the nonlocal energy-dependent electron self-energy operator is calculated from first principles using the full dielectric matrix and the dressed Green's function. Experimental spectra are properly interpreted as transitions between quasiparticle states of an interacting many-body system. Application to covalent materials as well as large gap ionic compounds showed that the effects of local fields and dynamical screening are crucial for accurate results. With no empirical input, the calculated band gaps, optical transitions, and band dispersions are all within a few percent of experimental values.
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