The electron energy spectra of the di-vacancies that were created by fast neutron irradiation were calculated by using a cluster approach, combined with quantum-chemical molecular orbital and static relaxation methods. The predicted data were compared with deep-level transient spectroscopic data, and were found to be in reasonable agreement with the numerical data.

P.Ballo, D.Rajniak, P.Macko, L.Harmatha: Radiation Effects and Defects in Solids, 1996, 138[1-2], 113-7