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Title
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Self-Energy Concept for the Numerical Solution of the Liouville-von Neumann Equation
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Sub-Title |
Nanotechnology
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Subject |
Nanotechnology
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Sub-Subject |
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Author |
K. S. Khalid, L. Schulz and D. Schulz
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Publish Year |
2017 |
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Supervisor |
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Diss#. |
IEEE TRANSACTIONS ON NANCYIBCHNOLOGY, VOL. 16, NO. |
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Pages |
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Text Language |
English |
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Accession |
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Library Section |
Research Article |
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Abstract |
Abstract-A new numerical approach is presented for the de
tennhlation or the statistical density matrix as a solution of the Liouville-von Neumann equation
incenter-mass coordinates. The numerical discretization is performed by utilizing a finite volume
method, which leads to a discretized drift and diffusion operator. The solution is based on the
eigenvector basis of the discretized diffusion operator with its corresponding eigenvalues and on
the introduction of the self-energy concept. More specifically,the self. energy concept is
essential to describe open-boundary problems adequately.Furthermore, this approach allows the
definition of in flow and outflow conditions. The method presented is investigated with regard to
the conventional Wigner transport equation and the quantum transmitting boundary method, when
investigating coherent effects.
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