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A multiscale method for optical responses of nanostructures. (English) Zbl 1273.82085

The papers addresses the problem of simplifying the description of the interaction of a many-body quantum body with the classically treated electromagnetic field. In the general form, this semiclassical description is far too difficult for systematic numerical simulations. Therefore, the purpose of this work is to develop a practically usable numerical scheme that threats the same problem in the framework of the self-consistent density-functional theory. The functional is formulated in terms of the electron and current density (this is called the Kohn-Sham approximation). The method is eventually developed for the linear system, and applied, to demonstrate practically significant examples. to several simple molecules, with the purpose to describe the interaction of the multi-electron system with the electromagnetic field on the nano-size scale.

MSC:

82D80 Statistical mechanics of nanostructures and nanoparticles
81V55 Molecular physics
81-08 Computational methods for problems pertaining to quantum theory
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