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Hello
I have used Multiwfn according 4.18.16 Plot charge-transfer spectrum and calculate major characters
of all excited states... and analyzed TD-DFT calculations using IFCT from ORCA.
The information I am missing how Multiwfn calculate intensity of electronic transition at given wavelength?
How do you calculate molar absorption coefficient?
Thank you in advance for your reply
R.
Pages: 1