The intersecting spheres model is an asymptotically exact method for the solutions of the X alpha equations which is already been applied to molecules with satisfactory results. This success led us to extend the model to the case of periodic structures. The results of a calculation of the the self-consistent energy bands of diamond are reported here in order to show the capability of the model to deal with crystalline structures
Application of the intersecting spheres model to periodic structures: computation of the energy bands of diamond
MIHICH, LUIGI
1977-01-01
Abstract
The intersecting spheres model is an asymptotically exact method for the solutions of the X alpha equations which is already been applied to molecules with satisfactory results. This success led us to extend the model to the case of periodic structures. The results of a calculation of the the self-consistent energy bands of diamond are reported here in order to show the capability of the model to deal with crystalline structuresFile in questo prodotto:
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