  A combination of molecular quantum electrodynamics, perturbation theory, and
ab initio calculations was used to create a computational methodology capable
of estimating the rate of 3-body singlet upconversion in organic molecular
assemblies. The approach was applied to quantify the conditions under which
such relaxation rates, known as energy pooling, become meaningful for two test
systems: stilbene-fluorescein and hexabenzocoronene-oligothiophene. Both
exhibit low intra-molecular conversion but inter-molecular configurations exist
in which pooling efficiency is at least 90\% when placed in competition with
more conventional relaxation pathways. For stilbene-fluorescein, the results
are consistent with data generated in an earlier experimental investigation.
Exercising these model systems facilitated the development of a set of design
rules for the optimization of energy pooling.
