First principles calculation of optical and electronic properties with inclusion of exciton effects

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Abstract

First principles theory and methodology have made rapid advances in their ability to describe electronic excitations and optical properties from first principles. Here we present an overview of the progress in this field. We illustrate with results for three systems that exhibit interesting excitonic behavior: single-walled carbon nanotubes, single-walled gallium nitride nanotubes, and self-trapped excitons in silica. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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