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Rydberg energies using excited state density functional theory

✍ Scribed by Cheng, Chiao-Lun; Wu, Qin; Van Voorhis, Troy


Book ID
121808511
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
468 KB
Volume
129
Category
Article
ISSN
0021-9606

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Excited states in density functional the
✍ Á. Nagy πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 305 KB πŸ‘ 1 views

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.