Multiwfn forum

Daidai

Member

Registered: 2026-07-08

Posts: 2

TDM with nm as the unit

I followed the instructions in the manual to genearate the TDM heat map as shown in page 767.

Is this possible to change the unit of atom # into lenghth unit such as nm? THANK YOU!

sobereva

Tian Lu (Multiwfn developer)

From: Athens, Greece

Registered: 2017-09-11

Posts: 2,265

Website

Re: TDM with nm as the unit

It is impossible. TDM exhibits coherence contribution between atoms, in principle the axis cannot be wavelength.

Daidai

Member

Registered: 2026-07-08

Posts: 2

Re: TDM with nm as the unit

Thank you so much for your reply Prof. Lu.

If that is the case, would it be possible to plot the electron-hole correlation map for the optically active excitons of carbon nanotube (with the color scale bar shows the probability per nm2) similar to attached image? Appreciated.

Last edited by Daidai (Yesterday 13:59:50)