The symmetric eigenvalue problem
The symmetric eigenvalue problem
The Geometry of Algorithms with Orthogonality Constraints
SIAM Journal on Matrix Analysis and Applications
Parallel empirical pseudopotential electronic structure calculations for million atom systems
Journal of Computational Physics
Templates for the solution of algebraic eigenvalue problems: a practical guide
Templates for the solution of algebraic eigenvalue problems: a practical guide
State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems
Journal of Computational Physics
Journal of Computational Physics
| Hi-index | 31.46 |
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.