Journal article

On the origin of matrix elements for electronic excitation (energy) transfer

RD Harcourt, KP Ghiggino, GD Scholes, S Speiser

The Journal of Chemical Physics | AMER INST PHYSICS | Published : 1996


The origin of electronic energy transfer (EET) between two chromophores (D and A) is explored further for several molecular situations that may be encountered in experiment - namely, nonoverlapping active-space orbitals of the D and A chromophores, forbidden electronic excitations for both chromophores, and an allowed and a forbidden electronic excitation for the D and A chromophores, respectively. The theory is illustrated via the results of calculations of the EET matrix elements for model systems with both four-eight active-space electrons and all of the electrons included explicitly. In each case, it is found that any overlap contribution to these matrix elements is associated much more ..

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University of Melbourne Researchers