Mathematical Models for Transport in Macroscopic and Mesoscopic Systems - Abstract

Kaiser, Hans-Christoph

A thermodynamic approach to transient Kohn-Sham theory

The drift-diffusion Kohn-Sham theory provides a thermodynamically motivated model for charge transport in heterogeneous semiconductor materials with non-local operators for the charge carrier densities. The mobilities are chosen in accordance with the theory of large deviations in stochastic processes. The theory is in the general framework of Transient Density Functional Theory.