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Re: Atomic charges for relaxed density in TDDFT

Alex Granovsky
gran@classic.chem.msu.su


Hi Sanya,

No, it's impossible at present.

Regards,
Alex

On Tue Jun 22 '10 8:26pm, sanya wrote
-------------------------------------
>Is it possible to obtain atomic charges for the relaxed density in TDDFT? In CIS calculations, this is done at the same time with the gradient, but TDDFT gradients are still not present...


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