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Dear Sr
I am trying to calculate ?r and Λ indices to characterize various electron excitation of Donor-Acceptor-Donor type dyes. The ?r values obtained is less than 1 A. Can I be definite that my molecule is having LE type excitation than charge transfer type. Or these data is only valid for Donor- Acceptor dyes or is it valid of symmetric D-A-D type dyes.
Dear sir
Some people are using 3 state model, two state model . Is it possible to get those results using Multiwfn . Look forward to hear from you.
Thank you
Can we get the nondynamic and dynamic correlation index from Unrestricted DFT studies using multiwfn.
Look forward to hear from you.
Regards
Anup
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