SIMPLE code: optical properties with optimal basis functions

17 Jun 2019 Prandini Gianluca Galante Mario Marzari Nicola Umari Paolo

We present SIMPLE, a code developed to calculate optical properties of metallic and insulating extended systems using the optimal basis method originally proposed by E. L. Shirley in 1996. Two different approaches for the evaluation of the complex dielectric function are implemented: (i) the independent-particle approximation considering both interband and intraband contributions for metals and (ii) the Bethe-Salpeter equation for insulators... (read more)

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  • COMPUTATIONAL PHYSICS
  • MATERIALS SCIENCE