The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energies from time-dependent density functional theory is studied. Excitation energies of the helium and beryllium atoms are calculated, both from the exact Kohn-Sham ground-state pote
Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions
✍ Scribed by Jochen Autschbach
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 173 KB
- Volume
- 10
- Category
- Article
- ISSN
- 1439-4235
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