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ChemInform Abstract: Dispersion Interactions in Density-Functional Theory

✍ Scribed by Erin R. Johnson; Iain D. Mackie; Gino A. Di Labio


Publisher
John Wiley and Sons
Year
2010
Weight
15 KB
Volume
41
Category
Article
ISSN
0931-7597

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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.