Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
522635 | Journal of Computational Physics | 2007 | 9 Pages |
Abstract
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 of iteration steps until convergence decreases by about a factor of 4 compared to previous calculations.
Related Topics
Physical Sciences and Engineering
Computer Science
Computer Science Applications
Authors
Christof Vömel, Stanimire Z. Tomov, Lin-Wang Wang, Osni A. Marques, Jack J. Dongarra,