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I have calculated EET (Förster resonance energy transfer) available in MultiWFN, between two carotinoids. The coefficients between some excited stated are positive (for example: the 1st excited stae of donor and the 1st excited state of acceptor), but I also can see negative coefitiens (for example: the 1st excited stae of donor and the 2st excited state of acceptor). What does negative EET coefficient means? Thank you!
Hey, I have a few questions:
(1) Could you, please clarify if sobEDA analysis can be performed with orca package? If so, please provide instructions how to do it?
(2) Is that possible to get any numbers (or ratio) which charactirise colomb, exchange, induction and dispersion contribution in the "sum of pair energies" provided by NOCV method?
Thank you.
Dear all,
I am interesing in calculation of exchange mechanism of energy transfer (also known dexter type). It here (10.1021/acs.jpcc.0c06694) was shown, that dexter type of EET can be approximated with a product of MO overlaps. Is it possible to compute dexter eet using Multiwfn software?
Thank you.
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