Physical Sciences and Mathematics Commons^™

Exploring Two Approximate Coupling Models In Exciton Transport, James Irish-Ryan

DePaul Discoveries

Point dipole and line dipole coupling approximations are two methods for approximating the transition dipole coupling between two conjugated organic molecules. Transition dipole couplings are an important factor in determining energy transfer between two non-covalently-bonded molecules. Transition dipole couplings were mathematically calculated by two methods, applying the point dipole and line dipole approximations. The calculations were implemented using Octave, an open source computer programming language. Using this tool, software was created to efficiently analyze the differences between transition dipoles calculated using the two methods, for a variety of relative orientations of two model conjugated organic molecules. Custom-built software was created …