Theoretical studies of vibrationally resolved absorption and emission spectra: From a single chromophore to multichromophoric oligomers/aggregates |
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| Authors: | GAO Fang LIANG WanZhen & ZHAO Yi Hefei National Laboratory for Physical Sciences at the Microscale |
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| Institution: | GAO Fang1,LIANG WanZhen1* & ZHAO Yi2 1 Hefei National Laboratory for Physical Sciences at the Microscale,Department of Chemical Physics,University of Science , Technology of China,Hefei 230026,China,2 State Key Laboratory of Physical Chemistry of Solid Surfaces , Department of Chemistry,Xiamen University,Xiamen 361005 |
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| Abstract: | 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. |
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