1. Theoretical Chemistry for Electronic Excited States
Supplementary information for Theoretical Chemistry for Electronic Excited States© The Royal Society of Chemistry 2018
Theoretical Chemistry for Electronic Excited States
Supplementary File: Chapter 6

2. Supplementary information for Theoretical Chemistry for Electronic Excited States© The Royal Society of Chemistry 2018
Figure 6.1 (a) Electron–nuclear dynamics9 in toluene on the lower sheet of Figure 4.6a. The diamond indicates the nuclear geometry (see Figure 4.6) and the large dot marks the electronic configuration |Ψ0〉. (b) Electron–nuclear dynamics9 in toluene on a superposition of states 1/√2|Ψ0〉 + 1/√2|Ψ1〉. The diamond indicates the nuclear geometry (see Figure 4.6) and the large dot marks the electronic configuration 1/√2|Ψ0〉 + 1/√2|Ψ1〉 (also shown in Figure 4.6b).
Adapted with permission from M. Vacher, J. Meisner, D. Mendive-Tapia, M. J. Bearpark and M. A. Robb,
J. Phys. Chem. A, 2015, 119, 5165– Copyright 2015 American Chemical Society.