[CP2K-user] What’s the difference between TD-DFT and TD-DFPT?

[msha...@gmail.com]

Dear Professor Watkins,

Thank you so much for your response to this question.

On Monday, September 21, 2020 at 12:45:22 PM UTC+3:30 Matt W wrote:

> TD-DFT is the generalisation of DFT to a time dependent problem and can be 
> used in various ways. TD-DFPT is a particular method using Perturbation 
> Theory to calculate properties from the general TD-DFT theory. You should 
> get references to the papers concerned if you run CP2K ' Time-dependent 
> density functional response theory for molecules, ME Casida Recent 
> Advances In Density Functional Methods: (Part I), 155-192' is perhaps one 
> of the best known papers setting out the approach (for molecular systems).
>
> Matt
>
> On Monday, September 21, 2020 at 6:40:28 AM UTC+1 msha... at gmail.com 
> wrote:
>
>> Hello everyone,
>>
>> Can you please explain the difference between TD-DFT and TD-DFPT? Why 
>> CP2K just doesn't use TD-DFT? and where can I read more about this method, 
>> the TD-DFPT?
>>
>> Thanks in advance.
>>
>
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