[QE-users] Linear Response and TD-DFPT

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Mon Feb 15 09:53:40 CET 2021


Dear Lucas
TDDFPT is definitely a linear-response method. If you want to read  
something, there is plenty of references in this file

/path-to-your-QE/TDDFPT/README

HTH
Giuseppe

Quoting Lucas Nicolás Lodeiro Moraga <lucas.lodeiro at ug.uchile.cl>:

> Hello all,
> I am introducing myself into the Time Dependent DFT to compute UV-Vis
> spectroscopy. Among the literature, I find that there are two
> approximations for that, the Linear Response and the Real Time propagation
> approaches...
> But, in some codes like CP2K an Quantum ESpresso, the implemented methods
> refer to TD-DFPT, which seems to be the linear response approach, but is
> not clear to me if this is ok or wrong...
> Does somebody know the differences and can give some insight or "simple"
> references to clarify me?
>
> Regards - Lucas Lodeiro



GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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