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- Tue Jun 01, 2021 1:18 am
- Forum: Theory
- Topic: Representation of nuclear charge/potential for Poisson equation (DFT)
- Replies: 0
- Views: 114
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 be...