<![CDATA[Multiwfn forum / Intensity vs wavelength plot of fluorescence]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=143 Wed, 19 Dec 2018 06:19:57 +0000 FluxBB <![CDATA[Re: Intensity vs wavelength plot of fluorescence]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=365#p365 The unit of Y axis can not be "intensity", because the "intensity" essentially corresponds to integral area of a peak due to a transition.

]]> Wed, 19 Dec 2018 06:19:57 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=365#p365 <![CDATA[Intensity vs wavelength plot of fluorescence]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=364#p364 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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