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

[Matt W]

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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