Abstract
The optical absorption spectra of nanoclusters up to atoms are computed using a linear response theory within the time-dependent local density approximation (TDLDA). The TDLDA formalism allows the electronic screening and correlation effects, which determine exciton binding energies, to be naturally incorporated within an ab initio framework. We find the calculated excitation energies and optical absorption gaps to be in good agreement with experiment in the limit of both small and large clusters. The TDLDA absorption spectra exhibit substantial blueshifts with respect to the spectra obtained within the time-independent local density approximation.
- Received 19 June 2000
DOI:https://doi.org/10.1103/PhysRevLett.86.1813
©2001 American Physical Society