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Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting
Theoretical studies of photochemical processes require a description of the energy surfaces of excited electronic states, especially …
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Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting
The diamine cation is not a chemical example where density functional theory fails
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