Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting

Yorick L. A. Schmerwitz, Aleksei V. Ivanov, Elvar Ö. Jónsson +2

Theoretical studies of photochemical processes require a description of the energy surfaces of excited electronic states, especially near degeneracies, where transitions between st…