Excitation energies from range-separated time-dependent density and density matrix functional theory
โ Scribed by Pernal, Katarzyna
- Book ID
- 120243127
- Publisher
- American Institute of Physics
- Year
- 2012
- Tongue
- English
- Weight
- 646 KB
- Volume
- 136
- 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