Optimal block-tridiagonalization of matrices for coherent charge transport

URN to cite this document:: urn:nbn:de:bvb:355-epub-78289
DOI to cite this document:: 10.5283/epub.7828

Wimmer, Michael ; Richter, Klaus

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Date of publication of this fulltext: 05 Aug 2009 13:57

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Abstract

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 ...