Figure 24.

Dissociation energy curves for (a) a coronene dimer and (b) H₂, as computed with different methods. For the coronene dimer, reference data are taken from the literature,^368,369 and the equilibrium distance is R₀ = 3.458 Å. All calculations were performed with the hfacm script. The coronene dimer results are based on a complete basis set extrapolation from cc-pVQZ results. H₂ calculations employed the aug-cc-pVQZ basis set. The strong-correlation functional used in the HFAC results is the hPC model.³⁶⁶