  A series of the cadmium selenide magic size clusters with the cores of
Cd$_8$Se$_{13}$ terminated with H- and N-containing ligands are calculated at
the DFT level with different functionals and ECP basis sets. The optimum
functional was selected on the basis of calculation for diatomic CdSe and other
smallest clusters with available experimental data and the higher-level
calculations. Optical absorption spectra are simulated through the TDDFT
method. The results on the ligand effects are in consistence with experimental
data for the magic size clusters produced in pyridine medium.
