Multiwfn forum

tuS

Member

Registered: 2018-12-19

Posts: 1

Intensity vs wavelength plot of fluorescence

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

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Intensity vs wavelength plot of fluorescence

The unit of Y axis can not be "intensity", because the "intensity" essentially corresponds to integral area of a peak due to a transition.