[QE-users] Linear Response and TD-DFPT

Lucas Nicolás Lodeiro Moraga lucas.lodeiro at ug.uchile.cl
Sun Feb 14 22:09:00 CET 2021


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
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