Absorption and photoluminescence spectroscopies are useful tools to study the photo-physical properties of materials. The theoretical methods for calculation of the spectra of molecules/supermolecules and aggregates, ...Absorption and photoluminescence spectroscopies are useful tools to study the photo-physical properties of materials. The theoretical methods for calculation of the spectra of molecules/supermolecules and aggregates, whose structures can differ significantly, are reviewed from the viewpoint of computational efficiency. Several model compounds/multimers are taken as examples for the spectral calculations. The numerical results achieve a satisfactory agreement between the theory and experiment.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos. 20673104, 20833003)the 973 project (Grant Nos. 2004CB719901 and 2006CB922004)
文摘Absorption and photoluminescence spectroscopies are useful tools to study the photo-physical properties of materials. The theoretical methods for calculation of the spectra of molecules/supermolecules and aggregates, whose structures can differ significantly, are reviewed from the viewpoint of computational efficiency. Several model compounds/multimers are taken as examples for the spectral calculations. The numerical results achieve a satisfactory agreement between the theory and experiment.
