TDM with nm as the unit

Daidai · 2026-07-08 16:00:14

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 · 2026-07-09 03:53:33

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

Daidai · Yesterday 13:56:11

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)

sobereva · Today 03:52:54

Multiwfn doesn't support TDM of this form.

Multiwfn forum

#1 2026-07-08 16:00:14

TDM with nm as the unit

#2 2026-07-09 03:53:33

Re: TDM with nm as the unit

#3 Yesterday 13:56:11

Re: TDM with nm as the unit

#4 Today 03:52:54

Re: TDM with nm as the unit

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