Abstract
The excitonic states of four small hydrogenated Si clusters and are studied using the diffusion quantum Monte Carlo approach. The importance of using accurate guiding wave functions is stressed and we show that the quantum chemical singles-only configuration interaction method and the time-dependent density functional theory within the adiabatic local-density approximation can provide suitable zeroth-order approximations in these systems.
- Received 12 October 2000
DOI:https://doi.org/10.1103/PhysRevB.64.035320
©2001 American Physical Society