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Re: Atomic charges for relaxed density in TDDFT

Alex Granovsky

Hi Sanya,

No, it's impossible at present.


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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