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arXiv · 1506.02993

Transparent boundary conditions for time-dependent electron transport in the R-matrix method with applications to nanostructured interfaces

G. A. Nemnes·Alexandra Palici·A. Manolescu
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Abstract

Transparent boundary conditions for the time-dependent Schrodinger equation are implemented using the R-matrix method. The employed scattering formalism is suitable for describing open quantum systems and provides the framework for the time-dependent coherent transport. Transmission and reflection of wave functions at the edges of a finite quantum system are essential for an accurate and efficient description of the time-dependent processes on large time scales. The approach is used here to describe time-dependent transport across nanostructured interfaces relevant for photovoltaic applications.

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G. A. Nemnes, Alexandra Palici, A. Manolescu. 2016-09-17. Transparent boundary conditions for time-dependent electron transport in the R-matrix method with applications to nanostructured interfaces. https://doi.org/10.1016/j.cpc.2016.08.007

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