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Towards bulk based preconditioning for quantum dotcomputations

Description: This article describes how to accelerate the convergence of Preconditioned Conjugate Gradient (PCG) type eigensolvers for the computation of several states around the band gap of colloidal quantum dots. Our new approach uses the Hamiltonian from the bulk materials constituent for the quantum dot to design an efficient preconditioner for the folded spectrum PCG method. The technique described shows promising results when applied to CdSe quantum dot model problems. We show a decrease in the numbe… more
Date: May 25, 2006
Creator: Dongarra, Jack; Langou, Julien; Tomov, Stanimire; Channing,Andrew; Marques, Osni; Vomel, Christof et al.
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Partner: UNT Libraries Government Documents Department
open access

The use of bulk states to accelerate the band edge statecalculation of a semiconductor quantum dot

Description: We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge state calculations for colloidal quantum dots. We use bulk band states of the materials constituent of the quantum dot to construct initial vectors and a preconditioner. We apply these to accelerate the convergence of the folded spectrum method for the interior states at the top of the valence and the bottom of the conduction band. For large CdSe quantum dots, the number… more
Date: May 10, 2006
Creator: Vomel, Christof; Tomov, Stanimire Z.; Wang, Lin-Wang; Marques,Osni A. & Dongarra, Jack J.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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