Abstract

Optical matrix elements have been derived for crystals by applying the theory of optical transitions within the formalism of the linear muffin-tin-orbital band-structure method and using Racah algebra. A Brillouin-zone integration by the tetrahedron method allows straightforward numerical computation of the optical function ${\ensuremath{\epsilon}}_{2}$(\ensuremath{\omega}) [or \ensuremath{\sigma}(\ensuremath{\omega})]. Other optical functions may be derived by using a Kramers-Kronig analysis.

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