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Re: generating charge density maps in TDDFT

Alex Granovsky
gran@classic.chem.msu.su

Hi Jonas,

http://classic.chem.msu.su/gran/gamess/cube.html

Regards,
Alex Granovsky

On Mon Feb 4 '13 1:11am, Jonas Baltrusaitis wrote
-------------------------------------------------
>Dear all,

>I would like to generate and plot density difference between 1st excited and ground state obtained with TDDFT. I am using Chemcraft to manipulate the data, so anything in the output can be manipulated there (or from cube files)

>However, my biggest problem is that I can;t quite find keywords or their sequence how to generate both densities. Should not be difficult but I can;t figure out, wonder is somebody could guide me

>thanks

>Jonas

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