Transition Density Matrix TDM via Multiwfn software

Описание к видео Transition Density Matrix TDM via Multiwfn software

In this lecture, you will learn about how to use Multiwfn software and how to plot transition density matrix (TDM). The additional keywords use in Gaussian input files are in inverted comma "# td=(nstates=6) density=transition=1 iop(6/8=3)" where DFT functional depends on your molecule and not mention here.

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