Exciton length - TD-DFT, Transition density matrix ?

Vikramaditya Talapunur @Vikramaditya_Talapunur

12 December 2015 0 6K Report

It is possible to plot the Contour plots of transition density matrices

from the ground state to the excited states performing TD-DFT calculation. However obtaining the data and plotting the graph is not straight forward. I am using gaussian 09 software, do some one have any idea how to obtain the data and plot the graph?

Thank you.

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