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#12023-09-19 00:19:29

Abdullah
Member
Registered: 2021-01-28
Posts: 31

Plotting ORCA ESD predicted spectrum

Dear Prof. Tian,
Can Multiwfn be used to plot fluorescence and phosphorescence spectra from ORCA_ESD calculations output?

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#22023-09-19 11:21:01

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,768
Website

Re: Plotting ORCA ESD predicted spectrum

Multiwfn doesn't support ESD module of ORCA...

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#32023-09-19 14:16:11

Abdullah
Member
Registered: 2021-01-28
Posts: 31

Re: Plotting ORCA ESD predicted spectrum

Is the same also applicable for ORCA TD-DFT/TDA output for plotting fluorescence spectrum using Multiwfn?//www.umsyar.com/wfnbbs/viewtopic.php?id=413

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#42023-09-19 16:15:21

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,768
Website

Re: Plotting ORCA ESD predicted spectrum

It is applicable

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#52023-09-20 13:43:22

Abdullah
Member
Registered: 2021-01-28
Posts: 31

Re: Plotting ORCA ESD predicted spectrum

Thank you, Prof. Tian Lu!

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