A recipe for the calculation of excited states was presented, which constituted a significant step forward in making accurate excited state calculations. An acceptable energy difference between experimental and calculated energies to be less than 100 meV were also defined. The importance of a balanced description of the excited states and the ground state was emphasized and the resulting electronic transitions were compared with experimental values.
|Number of pages||8|
|Journal||Journal of Chemical Physics|
|Publication status||Published (in print/issue) - Jan 2001|