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PARAMETERFREE CALCULATIONS OF OPTICAL PROPERTIES FOR SYSTEMS WITH MAGNETIC ORDERING OR THREE-DIMENSIONAL CONFINEMENT
https://doi.org/10.1142/9789812794031_0002Cited by:2 (Source: Crossref)
Abstract:
We demonstrate the potential of the electronic-structure methods developed recently for the calculation of optical properties of solids. The many-body effects, i.e. quasiparticles, excitons and local fields, are fully taken into account by solution of the combined Dyson and Bethe-Salpeter equations. The principal effects but also the validity of the used approximations are discussed for bulk semiconductors such as Si and prototypical molecules such as SiH4. The extension of the theory to systems with spin ordering or strong confinement is demonstrated. Their influence on the many-body effects is discussed for the paradigmatic insulator MnO and a silicon nanocrystal.
