Abstract
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.
Original language | English |
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Pages (from-to) | 15-22 |
Number of pages | 8 |
Journal | Journal of Chemical Physics |
Volume | 114 |
Issue number | 1 |
DOIs | |
Publication status | Published - Jan 2001 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry