Exploring Multiple Potential Energy Surfaces: Photochemistry of Small Carbonyl Compounds

Figure 4

(a) A S₀/T₁-MEPSX curve for HCOH  ↔  H₂CO  ↔  HCO+H at the CASPT2 level (see Section 2.4 for details of the CASPT2 calculations) and (b) a S₀/T₁-MEPSX curve for the same reaction at the UB3LYP/aug-cc-pVDZ level.

(a)

(b)