Average excitation energies from time-dependent density functional response theory
โ Scribed by Hu, Chunping; Sugino, Osamu
- Book ID
- 118244760
- Publisher
- American Institute of Physics
- Year
- 2007
- Tongue
- English
- Weight
- 364 KB
- Volume
- 126
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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
Starting from a formally exact density-functional representation of the frequencydependent linear density response and exploiting the fact that the latter has poles at the true excitation energies, we develop a density-functional method for the calculation of excitation energies. Simple additive cor