Singlet and triplet vertical excitation energies are determined for benzene using time-dependent Kohn᎐Sham density functional theory. The potential of the HCTH continuum functional is explicitly corrected, using a recently developed procedure, to impose the appropriate y1rr q C asymptotic Ž U . Ž .
✦ LIBER ✦
Model Hamiltonians derived from Kohn–Sham theory
✍ Scribed by René Fournier; Nan Jiang
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 311 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0020-7608
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