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Re: How tdprp works

Alex Granovsky

On Wed Nov 25 '15 9:51am, Kaushik Hatua wrote
>During tddft run istate determine the property of that state if tdprp is enable. Let me say if istate=1 then its excited state wavefunction is used for property computation. Now if i use runtyp=optimize optimization of first excited state will be done. My question is if I use FFIELD would I get excited state hyperpolarizability??


yes you will get excited state hyperpolarizability.

Kind regards,
Alex Granovsky

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