Abstract
A brief overview of the diffusion quantum Monte Carlo method is given. We illustrate the application to ground-state calculations by a study of the relative stability of carbon clusters near the crossover to fullerene stability, thereby determining the smallest stable fullerene. The application to excited states is illustrated via a study of excitonic states in small hydrogenated silicon clusters.
Original language | English |
---|---|
Pages (from-to) | 218-225 |
Number of pages | 8 |
Journal | International Journal of Quantum Chemistry |
Volume | 86 |
Issue number | 2 |
DOIs | |
State | Published - Jan 15 2002 |
Externally published | Yes |
Keywords
- Diffusion quantum Monte Carlo
- Excited states
- Fullerenes
- Ground states
- Hydrogenated silicon clusters