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#1 Multiwfn and wavefunction analysis » Intensity vs wavelength plot of fluorescence » 2018-12-19 04:12:26

tuS
Replies: 1

Hi

I want to plot intensity vs wavelength of fluorescence. I have optimized the relevant excited state (S3) by TDDFT by gaussian16 and then opened the file in Multiwfn. Then typed 11, 3, 20 and made all the oscillatory strength zero except S3. After that plotting the spectrum (by typing 0) gives molar absorption coefficient on left y axis, oscillatory strength on right y axis and wavelength on x axis. I want to plot intensity (in au) vs wavelength. Please let me know how to do it in Multiwfn.

Thank you in advance.

regards,
TS

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