Multiwfn forum / TDM with nm as the unit

Re: TDM with nm as the unit

dummy@example.com (sobereva) — Sat, 11 Jul 2026 03:52:54 +0000

Multiwfn doesn't support TDM of this form.

Re: TDM with nm as the unit

dummy@example.com (Daidai) — Fri, 10 Jul 2026 13:56:11 +0000

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.

Re: TDM with nm as the unit

dummy@example.com (sobereva) — Thu, 09 Jul 2026 03:53:33 +0000

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

TDM with nm as the unit

dummy@example.com (Daidai) — Wed, 08 Jul 2026 16:00:14 +0000

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!