Answer by Toon Verstraelen for Implementing simple atom model using density...
Use the Poisson equation in its differential form to obtain the Hartree potential. It has a nice form in spherical coordinates. See for example the seminal paper of Becke, in which this problem is...
View ArticleImplementing simple atom model using density functional theory (DFT)
I am trying to write computer code which will find the energy and density function for a atom with Z protons and N electrons. I am working in 1D for simplicity and would like to make the overall code...
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