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Re^2: Transition dipole moment between excited states

Corentin Poidevin
corentin.poidevin@lcc-toulouse.fr


Dear Alex,
Thank you, but this is not really what i am looking for.
Let me rephrase my question.
I am using TDDFT to calculate transition dipole moments between excited states and i would like to know how it is implemented in Firefly.
I ask this because i was using another program to calculate them but it turned out to have a problem with resonance and gave unphysical results. Hense depending on how it is implemented in Firefly, it might be very useful to me.

Best regards,
Corentin Poidevin

On Tue Jun 18 '13 8:04pm, Alex Granovsky wrote
----------------------------------------------
>Dear Corentin,

>With Firefly, it is possible to compute them using CIS,
>TDHF, TDDFT, GUGA CI, MCSCF, MCQDPT2, and XMCQDPT2.

>Kind regards,
>Alex Granovsky
>
>
>On Mon Jun 17 '13 12:20pm, Corentin Poidevin wrote
>--------------------------------------------------
>>Dear all,
>>I would like to know how the calculation of the transition dipole moments between excited states is implemented in Firefly?

>>Thank you

>>Best regards

>>Corentin Poidevin
>>LCC, Toulouse
>>France


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