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Abstract.

We report on a novel order N algorithm, that allows efficient computation of the Landauer-Büttiker conductance formula in heterojunctions of any complexity. The method is based on the recursive construction of a bi-orthogonal basis, in which non-hermitian hamiltonian matrices are first tridiagonalized, and continued-fraction expansion further used to accurately compute off-diagonal Green’s function matrix elements. The method, of broad range of applicability, is here validated on tight-binding hamiltonians for nanotube-based intramolecular junctions.

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Triozon, F., Roche, S. Efficient linear scaling method for computing the Landauer-Büttiker conductance. Eur. Phys. J. B 46, 427–431 (2005). https://doi.org/10.1140/epjb/e2005-00260-x

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  • DOI: https://doi.org/10.1140/epjb/e2005-00260-x

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