Quantum-chemical calculation of the electronic structure and excited states of ZnS and CdS clusters

Conclusion The calculations performed give, on the whole, rather promising results, though they have some drawbacks. For example, the values obtained for oscillator strengths seem to be underestimated, as a consequence of the insufficiently large number of excited configurations taken into account. This can be improved by using special algorithms for dealing with matrices of large dimensions. The authors thank V. V. Sviridov and S. V. Gaponenko for initiation of the present work. The work was carried out under financial support from the Fundamental Research Fund of the Republic of Belarus. Institute of Molecular and Atomic Physics of the Academy of Sciences of Belarus, 70, F. Skorina Ave., Minsk, 220072, Belarus. Translated from Zhurnal, Prikladnoi Spektroskopii, Vol. 63, No. 5, pp. 714–722, September–October 1996.