Construction of Multi-Chromophoric Spectra from Monomer Data: Applications to Resonant Energy Transfer

TL;DR

This paper presents a model that predicts spectra and energy transfer rates in multi-chromophoric systems using monomer data, aiding the design of efficient energy transfer in molecular aggregates.

Contribution

A new model based on the coherent potential approximation links monomer properties to aggregate spectra and transfer rates, validated across various parameters.

Findings

Optimal transfer rates depend on system-bath coupling and intra-aggregate coherence.

The model accurately predicts spectra and transfer rates from monomer data.

Applicable to a wide range of molecular aggregate systems.

Abstract

We develop a model that establishes a quantitative link between the physical properties of molecular aggregates and their constituent building blocks. The relation is built on the coherent potential approximation, calibrated against exact results, and proven reliable for a wide range of parameters. It provides a practical method to compute spectra and transfer rates in multi-chromophoric systems from experimentally accessible monomer data. Applications to F\"orster energy transfer reveal optimal transfer rates as functions of both the system-bath coupling and intra-aggregate coherence.