Density functional theory for a single excited state is presented using Kato's theorem and the concept of adiabatic connection. The degenerate case is also detailed. The optimized potential method is generalized. The generalized Krieger, Li, and Ε½ . Iafrate KLI approximation is derived.
Density functional theory generalized to degenerate excited states
β Scribed by Tiecheng Li
- Book ID
- 112833418
- Publisher
- Springer-Verlag,Italian Physical Society
- Year
- 1991
- Weight
- 407 KB
- Volume
- 106
- Category
- Article
- ISSN
- 0369-3554
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