TDDFT Excited State Mulliken Charge
Clicked A Few Times
10:28:18 AM PDT - Fri, Aug 31st 2012
Hi,

I was wondering if it is possible to get Mulliken charges on individual atoms for molecules in excited states calculated using TDDFT? I can only seem to get the ground state!

Forum Regular
7:53:33 PM PDT - Sun, Sep 2nd 2012
Hi,

We don't have this capability yet.

Best regards,
-Niri
niri.govind@pnl.gov


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