A stochastic method is developed to calculate the multiexciton generation (MEG) rates in semiconductor nanocrystals (NCs). The numerical effort scales near-linearly with system size allowing the study of MEG rates up to diameters and exciton energies previously unattainable using atomistic calculations. Illustrations are given for CdSe NCs of sizes and energies relevant to current experimental setups, where direct methods require treatment of over 10 11 states. The approach is not limited to the study of MEG and can be applied to calculate other correlated electronic processes.
- Monte Carlo
- Multiexciton generation
- linear scaling
- spectroscopy of semiconducting nanocrystals