Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 2023-09-19 00:19:29

Abdullah
Member
Registered: 2021-01-28
Posts: 32

Plotting ORCA ESD predicted spectrum

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

Offline

#2 2023-09-19 11:21:01

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,833
Website

Re: Plotting ORCA ESD predicted spectrum

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

Offline

#3 2023-09-19 14:16:11

Abdullah
Member
Registered: 2021-01-28
Posts: 32

Re: Plotting ORCA ESD predicted spectrum

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

Offline

#4 2023-09-19 16:15:21

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,833
Website

Re: Plotting ORCA ESD predicted spectrum

It is applicable

Offline

#5 2023-09-20 13:43:22

Abdullah
Member
Registered: 2021-01-28
Posts: 32

Re: Plotting ORCA ESD predicted spectrum

Thank you, Prof. Tian Lu!

Offline

Board footer

Powered by FluxBB