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Optimal block-tridiagonalization of matrices for coherent charge transport

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Wimmer, Michael ; Richter, Klaus
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PDF - Submitted Version
arXiv PDF (17.06.2008)
Date of publication of this fulltext: 05 Aug 2009 13:57


Numerical quantum transport calculations are commonly based on a tight-binding formulation. A wide class of quantum transport algorithms requires the tight-binding Hamiltonian to be in the form of a block-tridiagonal matrix. Here, we develop a matrix reordering algorithm based on graph partitioning techniques that yields the optimal block-tridiagonal form for quantum transport. The reordered ...


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