کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4964603 | 1447815 | 2016 | 27 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Transparent boundary conditions for time-dependent electron transport in the R-matrix method with applications to nanostructured interfaces
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Transparent boundary conditions for time-dependent electron transport in the R-matrix method with applications to nanostructured interfaces Transparent boundary conditions for time-dependent electron transport in the R-matrix method with applications to nanostructured interfaces](/preview/png/4964603.png)
چکیده انگلیسی
Transparent boundary conditions for the time-dependent Schrödinger 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. We detail the computational method and point out the numerical advantages stemming from the open system approach based on the R-matrix formalism. The approach is used here to describe time-dependent transport across nanostructured interfaces relevant for photovoltaic applications.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 208, November 2016, Pages 109-116
Journal: Computer Physics Communications - Volume 208, November 2016, Pages 109-116
نویسندگان
G.A. Nemnes, Alexandra Palici, A. Manolescu,