From NWChem
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| 10:28:18 AM PDT - Fri, Aug 31st 2012 |
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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!
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Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Forum Regular
Threads 4
Posts 188
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| 7:53:33 PM PDT - Sun, Sep 2nd 2012 |
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Hi,
We don't have this capability yet.
Best regards,
-Niri
niri.govind@pnl.gov
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