β Scribed by Volker Eyert
No coin nor oath required. For personal study only.
The basic ideas of modern band theory and the functionality of state of the art calculational schemes are illustrated with the augmented spherical wave (ASW) method. Our description includes a short review of the underlying theory as well as a derivation of the most important formulas. We explain some steps toward the computational implementation and discuss aspects of practical application. Finally, the capabilities offered by the ASW method are demonstrated by an investigation of the electronic structure of FeS 2 , which belongs to the increasingly exciting class of pyrite-type transition metal dichalcogenides.
π SIMILAR VOLUMES
In this paper, we extend the basic Exp-function method to nonlinear lattice differential equations for constructing multi-wave and rational solutions for the first time. We consider a differential-difference analogue of the Korteweg-de Vries equation to elucidate the solution procedure. Our approach