An Efficient Algorithm for Density Functional Theory Simulation of Large Quantum Dot Systems
| dc.creator | Jiang, Hong | |
| dc.creator | Baranger, Harold U. | |
| dc.creator | Yang, Weitao | |
| dc.date | 2003-01-13 | |
| dc.date.accessioned | 2026-07-07T02:49:07Z | |
| dc.date.available | 2026-07-07T02:49:07Z | |
| dc.description | Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the density-functional theory simulation of quantum dots is developed, which includes the particle-in-the-box representation of the Kohn-Sham orbitals, an efficient conjugate gradient method to directly minimize the total energy, a Fourier convolution approach for the calculation of the Hartree potential, and a simplified multi-grid technique to accelerate the convergence. The new algorithm is tested in a 2D model system. Using this new algorithm, numerical studies of large quantum dots with several hundred electrons become computationally affordable. | |
| dc.description | 7 pages, 5 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0301176 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0301176 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/20670 | |
| dc.subject | Mesoscale and Nanoscale Physics | |
| dc.title | An Efficient Algorithm for Density Functional Theory Simulation of Large Quantum Dot Systems | |
| dc.type | text |