Representation of nuclear charge/potential for Poisson equation (DFT)

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kkb
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Joined: Tue Jun 01, 2021 1:04 am

Representation of nuclear charge/potential for Poisson equation (DFT)

Post by kkb » Tue Jun 01, 2021 1:18 am

Hi,

While reading through the literature, I have noticed that Poisson equation for nuclear potentials is solved with point-charge assumption, even though dft formulation is expressed using pseudopotentials. What can be the reasons behind that approach? What can be said about the energy difference between two approaches?

Regards.

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