There are obvious correlations between monomer and dimer frontier molecular orbital energies. It should be noted that the when the dimer Eg energy is simply approximated as the difference in energy between the HOMO donor's HOMO energy and the LUMO acceptor's LUMO energy, the errors are relatively large (0.50 +/-0.33 eV, not shown in Table ). When this difference is treated as a parameter in a univariate OLS model, the errors are drastically reduced (0.22 +/-0.17 eV). As expected, the multivariate OLS model that contains HOMO, LUMO and Eg data from both monomers further decreases the model error (0.18 +/-0.14 eV). These statistical models neglect to consider orbital interaction and delocalization, which is captured by even simple quantum models such as HMO theory. A simple Hückel secular determinant could be used to calculate resonance integrals for each monomer pair after dimer formation. It was hypothesized that these resonance integrals could be treated as a parameter to increase the accuracy of the dimer models in Table .