Figure 5.
Potential energy surfaces along the four most important normal modes: symmetric C=C stretching and three N-Me tilting modes plotted from the database of 601 ab initio points resulting from the TDA-wB97X-D3/cc-pVDZ DD-vMCG dynamics in the gas phase started from the state L (S). The diabatic coupling along those modes is plotted in grey for comparison.
