This work reports the first density-functional theory DFT treatment of excited-state potential energy surfaces exhibiting avoided crossings. Time-dependent ลฝ . DFT TD-DFT results, using a recently proposed asymptotically corrected local density approximation functional, are compared with multirefere
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Excited states of molecules from Green's function perturbation techniques
โ Scribed by Michael Rohlfing
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 197 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0020-7608
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are two errors. The heading over the last column of the middle section of Table should read B3LYP/BS2 and not B3LYP/B2 as stated. In Figure two bonds are missing. The corrected figure is given below. We apologize for these mistakes.
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